二溴甲烷-d2 | 22117-86-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 二溴甲烷-d2
• 英文名称: dibromomethane-d2
• 英文别名: dibromo(dideuterio)methane
• CAS: 22117-86-8
• 化学式: CH₂Br₂
• 分子量: 175.819
• InChiKey: FJBFPHVGVWTDIP-DICFDUPASA-N

物化性质

• 沸点：
  99 °C (lit.)
• 密度：
  2.505 g/mL at 25 °C
• 蒸气密度：
  5.9 (vs air)
• 稳定性/保质期：

  在常温常压下，该物质是稳定的。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  6.1(b)
• 安全说明：
  S24
• 危险品运输编号：
  UN 2664
• 危险类别：
  6.1(b)
• 危险品标志：
  Xn
• 危险类别码：
  R20
• 包装等级：
  III
• WGK Germany：
  3
• 危险标志：
  GHS07
• 危险性描述：
  H332,H412
• 危险性防范说明：
  P273
• 储存条件：
  -20°C下应密闭、阴凉且干燥，并使用氮气保存。

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Dibromomethane-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. : 22117-86-8
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Inhalation (Category 4), H332
Chronic aquatic toxicity (Category 3), H412
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
Xn Harmful R20
R52/53
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 Warning
Hazard statement(s)
H332 Harmful if inhaled.
H412 Harmful to aquatic life with long lasting effects.
Precautionary statement(s)
P273 Avoid release to the environment.
Supplemental Hazard none
Statements
Other hazards - none

---

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms : Methylene-d2 bromide
Methylene-d2 bromide
Formula : CD2Br2
Molecular Weight : 175,85 g/mol
CAS-No. : 22117-86-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Copper
CAS-No. 7440-50-8 <= 100 %
EC-No. 231-159-6
Dibromomethane-d2
CAS-No. 22117-86-8 Acute Tox. 4; Aquatic Chronic <= 100 %
3; H332, H412
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Copper
CAS-No. 7440-50-8 R53 <= 100 %
EC-No. 231-159-6
Dibromomethane-d2
CAS-No. 22117-86-8 Xn, R20 - R52/53 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

---

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
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
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

---

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
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

---

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.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
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.
Store under inert gas. hygroscopic
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

---

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
Face shield and safety glasses 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.
Body Protection
Complete suit protecting against chemicals, 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. Discharge into
the environment must be avoided.

---

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 99 °C - lit.
boiling range
g) Flash point no data available
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 2,505 g/mL at 25 °C2,505 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 5,0
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

---

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Contains the following stabiliser(s):
Copper (<=100 %)
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

---

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
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
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
narcosis, prolonged or repeated exposure can cause:, Dermatitis, Acts as a simple asphyxiant by
displacing air., Dizziness, Disorientation, Headache, excitement, Central nervous system depression

---

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
Harmful to aquatic life with long lasting effects.

---

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

---

SECTION 14: Transport information
UN number
ADR/RID: 2664 IMDG: 2664 IATA: 2664
UN proper shipping name
ADR/RID: DIBROMOMETHANE
IMDG: DIBROMOMETHANE
IATA: Dibromomethane
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

---

---

SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二溴甲烷-d2 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  与ZnCH羰基化合物的亚甲基化2溴2 TiCl 4。赤霉素的应用

  摘要：

  从ZnCH制备的高度活性种2溴2 TiCl 4与醛类和酮类，得到methylenated产品具有卓越的选择性瞬间反应。

  DOI：

  10.1016/s0040-4039(00)88728-6
• 作为产物：
  描述：

  四溴化碳 在 氘氧化钠 、 重水 、 arsenic(III) trioxide 作用下， 生成 二溴甲烷-d2
  参考文献：
  名称：

  �ber das Streuspektrum von CD2Br2

  摘要：

  DOI：

  10.1007/bf01418607
• 作为试剂：
  描述：

  N,N-二甲基苯胺 、 苯乙炔 在 二溴甲烷-d2 作用下， 以 N,N-二甲基苯胺 为溶剂， 反应 12.0h， 以85%的产率得到alpha- 溴苯乙烯
  参考文献：
  名称：

  Metal-free regioselective hydrobromination of alkynes through C H/C Br activation

  摘要：

  A metal-free regioselective hydrobromination of alkynes has been developed to provide the Markovnikov-type vinyl bromides in good yields using dibromomethane/N,N-dimethylaniline as in-situ 'HBr' source. This protocol also represents an elegant example of the activation of sp(2) C-H and C-Br bonds in one pot, in which 'HBr' is generated and transferred under mild metal-free conditions. D-incorporated experiments were employed to investigate the reaction mechanism and a plausible reaction path was proposed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.070

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• 一种氘代抗癌药物及其用途
  申请人：湖南华腾制药有限公司

  公开号：CN108409725A

  公开（公告）日：2018-08-17

  本发明公开了一种式I所示化合物及其药学上可接受的盐、水合物或溶剂合物，本发明式I化合物通过氘代修饰，使得式I化合物比原化合物的药代动力学性质更好，血药峰浓度高，有效血药浓度维持时间更长，可以降低给药量，降低毒副作用，提高安全性。
• Alkyne derivatives as tracers for metabotropic glutamate receptor binding
  申请人：Cosford Peter Nicholas David

  公开号：US20070060618A1

  公开（公告）日：2007-03-15

  The present invention is directed to isotopically labeled alkyne derivative compounds, particularly 11 C, 13 C, 14 C, 18 F, 15 O, 13 N, 35 S, 2 H, and 3 H labeled compounds. In particular, the present invention is directed to 11 C, 13 C, 14 C, 18 F, 15 O, 13 N, 35 S, 2 H, and 3 H labeled heterocyclic alkynes and methods of their preparation. The present invention further includes a method of use of the 11 C, 18 F, 15 O, or 13 N labeled heterocyclic alkyne compounds as tracers in positron emission tomography (PET) imaging, particularly in the study of metabolic conditions in mammals, specifically conditions modulated by metabotropic glutamate receptors subtype 5 (mGluR5).

  本发明涉及同位素标记的炔基衍生物化合物，特别是11C、13C、14C、18F、15O、13N、35S、2H和3H标记的化合物。具体而言，本发明涉及11C、13C、14C、18F、15O、13N、35S、2H和3H标记的杂环炔烃及其制备方法。本发明还包括将11C、18F、15O或13N标记的杂环炔烃化合物用作正电子发射断层扫描（PET）成像中的示踪剂的使用方法，特别是在哺乳动物代谢状况的研究中，特别是通过代谢型谷氨酸受体亚型5（mGluR5）调节的状况。
• HPLC-free <i>in situ</i>¹⁸F-fluoromethylation of bioactive molecules by azidation and MTBD scavenging
  作者：Yingqing Lu、Ji Young Choi、Sang Eun Kim、Byung Chul Lee

  DOI：10.1039/c9cc04901k

  日期：——

  Sequential usage of azide and MTBD, which generates pure [¹⁸F]fluoromethyl tosylate and scavenges unreacted desmethyl precursors, provided an efficient HPLC-free strategy for the radio-synthesis of ¹⁸F-fluoromethylated compounds.

  使用叠氮和MTBD的顺序使用，生成纯[18F]氟甲基对甲苯磺酰基，并清除未反应的去甲基前体，为18F-氟甲基化合物的无HPLC合成提供了高效策略。
• Efficient Access to All‐Carbon Quaternary and Tertiary α‐Functionalized Homoallyl‐type Aldehydes from Ketones
  作者：Vittorio Pace、Laura Castoldi、Eugenia Mazzeo、Marta Rui、Thierry Langer、Wolfgang Holzer

  DOI：10.1002/anie.201706236

  日期：2017.10.2

  β,γ‐Unsaturated aldehydes with all‐carbon quaternary or tertiary α‐centers were rapidly assembled from ketones through a unique synthetic operation consisting of 1) C1 homologation, 2) Lewis acid mediated epoxide–aldehyde isomerization, and 3) electrophilic trapping. The synthetic equivalence of a vinyl oxirane and a β,γ‐unsaturated aldehyde is the key concept of this previously undisclosed tactic

  具有全碳四元或三元α-中心的β，γ-不饱和醛通过一种独特的合成操作由酮快速组装而成，该合成操作包括1）C 1同源，2）Lewis酸介导的环氧-醛异构化和3）亲电捕集。乙烯基环氧乙烷和β，γ-不饱和醛的合成当量是这种以前未公开的策略的关键概念。机理研究和标记实验表明，烯醇醛是重要的中间体。同源类胡萝卜素的形成在确定化学选择性中起关键作用。