7439-86-3

7439-86-3结构式

常用中文名：2,2,2-氘代溴乙烷
常用英文名：2-bromo-1,1,1-trideuterioethane
CAS号：7439-86-3
分子式：C₂H₂BrD₃
分子量：111.98400
发布时间：2018-07-24 17:01:54
更新时间：2024-01-08 12:09:07

中文名	2,2,2-氘代溴乙烷
英文名	2-bromo-1,1,1-trideuterioethane
中文别名	溴乙烷-2,2,2-d3 乙基溴-2,2,2-d3
英文别名	Ethyl-2,2,2-d3 bromide D3-ethylbromide MFCD00143875 Bromoethane-2,2,2-d3 2,2,2-[D3]ethyl bromide 2,2,2-(2)H3-ethyl bromide 2-bromo-1,1,1-trideuterio-ethane

密度	1.500 g/mL at 25ºC
沸点	37-40ºC(lit.)
熔点	-119ºC(lit.)
分子式	C₂H₂BrD₃
分子量	111.98400
闪点	-10 °F
精确质量	110.97600
LogP	1.40120
折射率	n20/D 1.4235(lit.)
储存条件	密闭,阴凉干燥处保存
稳定性	避免强氧化剂,强碱，镁避免光，明火，高温
分子结构	五、分子性质数据： 1、摩尔折射率：19.04 2、摩尔体积（m³/mol）：74.7 3、等张比容（90.2K）：163.8 4、表面张力（dyne/cm）：23.1 5、极化率（10^-24cm³）：7.55
计算化学	1.疏水参数计算参考值（XlogP）:1.4 2.氢键供体数量:0 3.氢键受体数量:0 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积0 7.重原子数量:3 8.表面电荷:0 9.复杂度:2.8 10.同位素原子数量:3 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1
更多	1. 性状：未确定 2. 密度（g/mLat 25°C）：1.500 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：-199 5. 沸点（ºC,常压）：37-40 6. 沸点（ºC,0.1mmHg）：未确定 7. 折射率（n20/D）：1.424 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（mmHg,37ºC）：未确定 12. 饱和蒸气压（kPa,114.4 ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（MPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Bromoethane-2,2,2-d3
CAS-No.: 7439-86-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances

Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 2)
Carcinogenicity (Category 2)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Oral (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Highly flammable. Limited evidence of a carcinogenic effect. Harmful by inhalation and if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H225Highly flammable liquid and vapour.
H302Harmful if swallowed.
H332Harmful if inhaled.
H351Suspected of causing cancer.
Precautionary statement(s)
P210Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P281Use personal protective equipment as required.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R11Highly flammable.
R20/22Harmful by inhalation and if swallowed.
R40Limited evidence of a carcinogenic effect.
S-phrase(s)
S36/37Wear suitable protective clothing and gloves.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: Ethyl-2,2,2-d3 bromide
Ethyl-2,2,2-d3 bromide
Formula: C2D3H2Br
Molecular Weight: 111,98 g/mol
ComponentConcentration
Bromoethane-2,2,2-d3
CAS-No.7439-86-3-

Section4. 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
prolonged or repeated exposure can cause:, Nausea, Dizziness, Headache, narcosis
Indication of any immediate medical attention and special treatment needed
no data available

Section5. 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, Hydrogen bromide gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, 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.
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.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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 uses
no data available

Section8. 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).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -119 °C - lit.
point
f) Initial boiling point and 37 - 40 °C - lit.
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density1,500 g/mL at 25 °C1,500 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
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

Section11. 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 sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
Limited evidence of carcinogenicity in animal studies
IARC:3 - Group 3: Not classifiable as to its carcinogenicity to humans (Bromoethane-2,2,2-d3)
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
Potential health effects
InhalationHarmful if inhaled. May cause respiratory tract irritation.
IngestionHarmful if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
prolonged or repeated exposure can cause:, Nausea, Dizziness, Headache, narcosis
Additional Information
RTECS: Not available

Section12. 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
no data available
Other adverse effects
no data available

Section13. 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.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 1891IMDG: 1891IATA: 1891
UN proper shipping name
ADR/RID: ETHYL BROMIDE (Bromoethane-2,2,2-d3)
IMDG: ETHYL BROMIDE (Bromoethane-2,2,2-d3)
IATA:Ethyl bromide (Bromoethane-2,2,2-d3)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

符号	GHS02, GHS07, GHS08
信号词	Danger
危害声明	H225-H302 + H332-H351-H420
警示性声明	P210-P281
危害码 (欧洲)	F,T
风险声明 (欧洲)	R45
安全声明 (欧洲)	S16-S26-S45-S53-S36-S37-S39
危险品运输编码	UN 1891 6.1/PG 2