甲酸-d2 | 920-42-3

• 物质功能分类: 化学试剂 - 氘代试剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 甲酸-d2
• 中文别名: 蚁酸-d2
• 英文名称: dideuterioformic acid
• 英文别名: formic acid-d₂；[D2]-formic acid；[²H₂]-formic acid；deuterated formic acid；(2H)Formic (2)acid；deuterio deuterioformate
• CAS: 920-42-3
• 化学式: CH₂O₂
• 分子量: 48.0098
• InChiKey: BDAGIHXWWSANSR-PFUFQJKNSA-N

物化性质

• 熔点：
  8.2-8.4 °C(lit.)
• 沸点：
  100.8 °C(lit.)
• 密度：
  1.273 g/mL at 25 °C
• 闪点：
  124 °F
• 溶解度：
  氯仿（微溶）、甲醇（微溶）
• 稳定性/保质期：
  避免与湿空气和水接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S16,S23,S26,S36/37/39,S45
• 危险类别码：
  R10
• WGK Germany：
  1,3
• 海关编码：
  28459000
• 危险品运输编号：
  UN 1779 8
• 储存条件：
  密封贮藏，存放在阴凉干燥处，并远离火源。建议将温度保持在4℃进行冷藏。通常采用氮气进行保护。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Formic acid-d2
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 920-42-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 3), H226
Skin corrosion (Category 1A), H314
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
C Corrosive R10, R35
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H226 Flammable liquid and vapour.
H314 Causes severe skin burns and eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310 Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : CD2O2
Molecular Weight : 48,04 g/mol
CAS-No. : 920-42-3
EC-No. : 213-057-3
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
[2H]formic [2]acid
CAS-No. 920-42-3 Flam. Liq. 3; Skin Corr. 1A; <= 100 %
EC-No. 213-057-3 H226, H314
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
[2H]formic [2]acid
CAS-No. 920-42-3 C, R10 - R35 <= 100 %
EC-No. 213-057-3
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Chloroprene
Minimum layer thickness: 0,6 mm
Break through time: 480 min
Material tested:Camapren® (KCL 722 / Z677493, Size M)
Splash contact
Material: Nature latex/chloroprene
Minimum layer thickness: 0,6 mm
Break through time: 60 min
Material tested:Lapren® (KCL 706 / Z677558, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone [phone], test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH 2,2 at 2,2 g/l at 20 °C
e) Melting point/freezing Melting point/range: 8,2 - 8,4 °C - lit.
point
f) Initial boiling point and 100,8 °C - lit.
boiling range
g) Flash point 51 °C - closed cup
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,273 g/mL at 25 °C
n) Water solubility completely miscible
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents, Strong bases, Powdered metals
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 1779 IMDG: 1779 IATA: 1779
UN proper shipping name
ADR/RID: FORMIC ACID
IMDG: FORMIC ACID
IATA: Formic acid
Transport hazard class(es)
ADR/RID: 8 (3) IMDG: 8 (3) IATA: 8 (3)
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Flam. Liq. Flammable liquids
H226 Flammable liquid and vapour.
H314 Causes severe skin burns and eye damage.
Skin Corr. Skin corrosion
Full text of R-phrases referred to under sections 2 and 3
C Corrosive
R10 Flammable.
R35 Causes severe burns.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  甲酸-d2 生成 deuterated formic acid
  参考文献：
  名称：

  氢化物向碳离子的转移：一、甲酸中三苯基甲基碳离子的还原机理

  摘要：

  为了证明可以通过氢化物转移进行还原，研究了甲酸中的三苯甲醇通过碳正离子转化为三苯甲烷。获得了以下机理的动力学和同位素证明： 基于上述机理的速率定律是其中 R = C6H5，这导致积分速率表达式 该方程被发现在各种条件下都符合。 合成无水甲酸由甘油催化分解草酸-d2，收率良好。核磁共振波谱显示氘的浓度大于99%。在还原过程中使用这种材料产生了动力学同位素效应，并导致了三苯甲烷的分离，其在 α 位具有超过 97% 的氘，因此支持了氢阴离子从甲酸根离子转移到碳正离子的想法。已发现速率控制步骤的能量和活化熵为 18.3 kcal。每摩尔和 -...

  DOI：

  10.1139/v57-109
• 作为产物：
  描述：

  氰化钠 在 重水 、 氘代磷酸 作用下， 生成 甲酸-d2
  参考文献：
  名称：

  金属辅助反应。第16部分：1：通过氘标记进行非均相液相催化转移氢解反应机理的研究

  摘要：

  氢同位素研究表明，液相中酚（1）的四唑基醚中CO键的非均相催化转移氢解是通过将氢从活性氢供体中心直接转移到催化剂表面的醚上进行的，而不是通过氢的转移进行的催化剂表面的原子。

  DOI：

  10.1016/s0040-4020(01)96645-1
• 作为试剂：
  描述：

  苯乙酮 在 甲酸 、 甲酸-d2 、 C₁₈H₂₄ClIrN₃ 、 重水 作用下， 以 水 为溶剂， 反应 0.5h， 生成 甲基苯甲醇-D1 、 苏合香醇
  参考文献：
  名称：

  铱作为氢化物供体，在低催化剂负载下，铱催化有效还原水中的酮

  摘要：

  使用我们最新开发的催化剂，已成功实现了水中酮的高效化学选择性转移加氢。简单的酮以及α-或β-官能化的酮容易被还原。甲酸用作无痕氢化物源。在非常低的催化剂负载（小号/ ç = 10 000在大多数情况下;小号/ C ^ = 50 000或100 000在一些情况下）时，铱催化剂是减少在良好酮类到优异的产率令人印象深刻的高效率。TOF值可高达26000 mol mol -1 h -1。各种官能团是良好耐受的，例如杂芳基，芳氧基，烷氧基，卤素，氰基，硝基，酯，尤其是酸性亚甲基，苯酚和羧酸基团。

  DOI：

  10.1039/c8gc00348c

文献信息

• Facile Synthesis and Versatile Reactivity of an Unusual Cyclometalated Rhodium(I) Pincer Complex
  作者：Linda S. Jongbloed、Bas de Bruin、Joost N. H. Reek、Martin Lutz、Jarl Ivar van der Vlugt

  DOI：10.1002/chem.201406463

  日期：2015.5.4

  The synthesis of the reactive PN(CH) ligand 2‐di(tert‐butylphosphanomethyl)‐6‐phenylpyridine (1H) and its versatile coordination to a RhI center is described. Facile CH activation occurs in the presence of a (internal) base, thus resulting in the new cyclometalated complex [RhI(CO)(κ3‐P,N,C‐1)] (3), which has been structurally characterized. The resulting tridentate ligand framework was experimentally

  描述了反应性PN（C H）配体2-二（叔丁基膦酰基甲基）-6-苯基吡啶（1 H）的合成及其与Rh I中心的通用配位。容易Ç  ħ活化发生在（内部）碱的存在下，从而导致新的环金属络合物的[Rh我（CO）（κ 3 - P，Ñ，Ç - 1）]（3），具有结构特点。实验和计算结果表明，所得的三齿配体框架显示出双位质子响应反应性，包括可逆的环金属化。通过与[D 1 ]甲酸进行选择性H / D交换来探究此功能。加入HBF的4至3个通向Rh中的快速净质子分解 C键，以产生的[Rh我（CO）（κ 3 - P，Ñ，（Ç  ħ） - 1）]（4）。本种有稀有芳基C X射线衍射研究表明，固态中的H异质相互作用。还通过计算研究了这种交互的性质。的反应3与在快速和选择性的甲基碘的结果邻苯基环的-methylation，由此产生的[Rh我（CO）（κ 2 - P，ñ - 1我）]（5）。变温NMR光谱表示的R
• A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid
  作者：Wei Liu、Wenlong Ren、Jingfu Li、Yuan Shi、Wenju Chang、Yian Shi

  DOI：10.1021/acs.orglett.7b00507

  日期：2017.4.7

  An effective Pd-catalyzed hydrocarboxylation of aryl olefins with Ac2O and formic acid is described. A variety of 2- and 3-arylpropanoic acids can be regioselectively formed by the judicious choice of ligand without the use of toxic CO gas.

  描述了用Ac 2 O和甲酸有效地Pd催化芳基烯烃的加氢羧化反应。通过明智地选择配体可以在不使用有毒CO气体的情况下区域选择性地形成各种2-和3-芳基丙酸。
• Enantioselective Synthesis of Chiral Carboxylic Acids from Alkynes and Formic Acid by Nickel‐Catalyzed Cascade Reactions: Facile Synthesis of Profens
  作者：Peng Yang、Yaxin Sun、Kaiyue Fu、Li Zhang、Guang Yang、Jieyu Yue、Yu Ma、Jianrong Steve Zhou、Bo Tang

  DOI：10.1002/anie.202111778

  日期：2022.1.3

  A simple nickel catalyst converts terminal alkynes and formic acid to α-chiral carboxylic acids in high enantioselectivity. The reaction proceeds via the hydrocarboxylation of alkynes and enantioselective transfer hydrogenation of acrylic acids.

  一种简单的镍催化剂以高对映选择性将末端炔烃和甲酸转化为 α-手性羧酸。该反应通过炔烃的加氢羧化和丙烯酸的对映选择性转移氢化进行。
• Chemodivergent Synthesis of One-Carbon-Extended Alcohols via Copper-Catalyzed Hydroxymethylation of Alkynes with Formic Acid
  作者：Xin Jin、Hong-Chen Fu、Mei-Yan Wang、Shouying Huang、Yue Wang、Liang-Nian He、Xinbin Ma

  DOI：10.1021/acs.orglett.1c01473

  日期：2021.7.2

  efficient synthesis of alcohols is a long-standing goal of chemical research. Here an intriguing strategy for the chemodivergent copper-catalyzed hydroxymethylation of alkynes with formic acid and hydrosilane has been developed. By simply tuning the amount of formic acid and reaction temperature, distinct one-carbon-extended primary alcohols, that is, allylic alcohols and β-branched alkyl alcohols, were

  开发利用容易获得的试剂有效合成醇的选择性催化反应是化学研究的一个长期目标。这里开发了一种有趣的策略，用于化学发散的铜催化炔烃与甲酸和氢硅烷的羟甲基化。通过简单地调整甲酸的量和反应温度，可以生产出具有高水平 Z/E-、区域-和对映选择性的不同的单碳扩展伯醇，即烯丙醇和 β-支链烷基醇。
• Base-Free Production of H₂by Dehydrogenation of Formic Acid Using An Iridium-bisMETAMORPhos Complex
  作者：Sander Oldenhof、Bas de Bruin、Martin Lutz、Maxime A. Siegler、Frederic W. Patureau、Jarl Ivar van der Vlugt、Joost N. H. Reek

  DOI：10.1002/chem.201302230

  日期：2013.8.26

  Erase the base: An iridium complex based on a cooperative ligand that functions as an internal base is reported. This complex can rapidly and cleanly dehydrogenate formic acid in absence of external base, a reaction that is required if formic acid is to be exploited as an energy carrier (see scheme).

  擦除碱基：据报道，一种基于协同配体的铱络合物起着内部碱基的作用。该配合物可以在不存在外部碱的情况下快速，干净地将甲酸脱氢，这是将甲酸用作能量载体时必须进行的反应（请参见方案）。