丁烷-d10 | 7582-04-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 丁烷-d10
• 中文别名: 丁烷-D10；氘代丁烷；丁烷-D1
• 英文名称: butane-d₁₀
• 英文别名: Decadeuterio-butan；n-butane-d10；Butan-d10；Butane-d10；1,1,1,2,2,3,3,4,4,4-decadeuteriobutane
• CAS: 7582-04-9
• 化学式: C₄H₁₀
• 分子量: 68.044
• InChiKey: IJDNQMDRQITEOD-MWUKXHIBSA-N

物化性质

• 熔点：
  −138 °C(lit.)
• 沸点：
  −0.5 °C(lit.)
• 蒸气密度：
  2.11 (vs air)
• 闪点：
  -60 °C
• 稳定性/保质期：
  避免强氧化剂、光、明火和高温。

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  4
• 可旋转键数：
  1
• 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

• 危险品标志：
  F,Xi
• 安全说明：
  S16,S33,S36/37
• 危险类别码：
  R11,R43
• 危险标志：
  GHS02,GHS04,GHS08
• 危险品运输编号：
  UN 1011 2.1
• 危险性描述：
  H220,H280,H340,H350
• 危险性防范说明：
  P201,P210,P280,P308 + P313,P377,P403
• 储存条件：
  应存放在密闭、阴凉干燥处，并保持良好通风，温度不宜超过52°C。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Butane-d10
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. : 7582-04-9
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 gases (Category 1), H220
Flammable gases (Category 1), H220
Gases under pressure (Liquefied gas), H280
Gases under pressure (Liquefied gas), H280
Germ cell mutagenicity (Category 1B), H340
Carcinogenicity (Category 1A), H350
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
F+ Extremely flammable R12
F+ Extremely flammable R12
R45
R46
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)
H220 Extremely flammable gas.
H280 Contains gas under pressure; may explode if heated.
H340 May cause genetic defects.
H350 May cause cancer.
Precautionary statement(s)
P201 Obtain special instructions before use.
P210 Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P308 + P313 IF exposed or concerned: Get medical advice/ attention.
P410 + P403 Protect from sunlight. Store in a well-ventilated place.
Supplemental Hazard none
Statements
Restricted to professional users.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Formula : C4D10
Molecular Weight : 68,18 g/mol
CAS-No. : 7582-04-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Butane-d10
CAS-No. 7582-04-9 Flam. Gas 1; Press. Gas ; <= 100 %
Muta. 1B; Carc. 1A; H220,
H280, H340, H350
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Butane-d10
CAS-No. 7582-04-9 F+, , T, Carc.Cat.1, Mut.Cat.2, <= 100 %
R12R45 - R46 - R12
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
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
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
Clean up promptly by sweeping or vacuum.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid exposure - obtain special instructions before use.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.
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

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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
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, 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 AXBEK (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: Liquefied gas
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: -138 °C - lit.
point
f) Initial boiling point and -0,5 °C - lit.
boiling range
g) Flash point -60 °C - closed cup
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower Upper explosion limit: 8,5 %(V) at 1013 hPa
flammability or Lower explosion limit: 1,5 %(V) at 1013 hPa
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
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. Extremes of temperature and direct sunlight.
Incompatible materials
Strong oxidizing agents
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
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
In vivo tests showed mutagenic effects
Carcinogenicity
Human carcinogen.
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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: 1011 IMDG: 1011 IATA: 1011
UN proper shipping name
ADR/RID: BUTANE
IMDG: BUTANE
IATA: Butane
Passenger Aircraft: Not permitted for transport
Transport hazard class(es)
ADR/RID: 2.1 IMDG: 2.1 IATA: 2.1
Packaging group
ADR/RID: - IMDG: - IATA: -
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  氢气 、 丁烷-d10 生成 氢化氘 、 n-butyl radical
  参考文献：
  名称：

  硫化氢光解在1850 A下热氢原子的动力学

  摘要：

  DOI：

  10.1021/j100724a074
• 作为产物：
  描述：

  丁烷 在 铂 、 氘 作用下， 生成 丁烷-d10
  参考文献：
  名称：

  Decomposition of n-Butane in an Electric Discharge

  摘要：

  DOI：

  10.2307/3570648

文献信息

• Mechanistic investigation of carbon-carbon bond formation in the reduction of alkyl halides by organonickel complexes in aqueous solution
  作者：Andreja. Bakac、James H. Espenson

  DOI：10.1021/ja00264a024

  日期：1986.2
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.4a/b, 1.3.1.1, page 146 - 150
  作者：

  DOI：——

  日期：——
• Study of the Fischer–Tropsch Reaction Using Deuterium Gas.
  作者：Sydney O. Thompson、John Turkevich、A. P. Irsa

  DOI：10.1021/j150494a022

  日期：1952.2
• Energy Partition in the Photodissociation of a Polyatomic System H₂S +<i>hv</i>(2138 Å)→H + SH
  作者：Richard George Gann、J. Dubrin

  DOI：10.1063/1.1712189

  日期：1967.9
• Photodissociation Dynamics. Wavelength Dependence of Energy Partitioning in Deuterium Sulfide
  作者：L. E. Compton、R. M. Martin

  DOI：10.1063/1.1673182

  日期：1970.2