6130-96-7

6130-96-7结构式
6130-96-7结构式

化源商城直购

中文名 1,1-二氯-3,3-二甲基丁烷
英文名 1,1-dichloro-3,3-dimethylbutane
中文别名 1.1-二氯-3,3-二甲丁烷
英文别名 EINECS 228-101-7
MFCD00000854
1,1-Dichlor-3,3-dimethyl-butan
1,1-dichloro-3,3-dimethyl-butane
neohexylidene dichloride
Butane,1,1-dichloro-3,3-dimethyl
密度 1.027 g/mL at 25ºC(lit.)
沸点 146-148ºC(lit.)
熔点 -56ºC(lit.)
分子式 C6H12Cl2
分子量 155.06500
闪点 98 °F
精确质量 154.03200
LogP 3.22630
折射率 n20/D 1.4388(lit.)
储存条件

密闭,阴凉干燥处保存

稳定性 避免光,明火,高温 避免强氧化剂,强碱
计算化学

1.疏水参数计算参考值(XlogP):3.7

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:2

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:8

8.表面电荷:0

9.复杂度:61.4

10.同位素原子数量:0

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):1.027

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):-56

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,760mmHg):146-148

7. 折射率(n20/D):1.4388

8. 闪点(ºC):37

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: 1,1-Dichloro-3,3-dimethylbutane
CAS-No.: 6130-96-7
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 3)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordWarning
Hazard statement(s)
H226Flammable liquid and vapour.
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10Flammable.
R36/37/38Irritating to eyes, respiratory system and skin.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C6H12Cl2
Molecular Weight: 155,07 g/mol
ComponentConcentration
1,1-Dichloro-3,3-dimethylbutane
CAS-No.6130-96-7-
EC-No.228-101-7

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
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride 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.
Specific end use(s)
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
impervious clothing, 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).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -56 °C - lit.
point
f) Initial boiling point and 146 - 148 °C - lit.
boiling range
g) Flash point37 °C - closed cup
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 density1,027 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno 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.
Incompatible materials
Strong oxidizing agents, Strong bases
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
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 1993IMDG: 1993IATA: 1993
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, N.O.S. (1,1-Dichloro-3,3-dimethylbutane)
IMDG: FLAMMABLE LIQUID, N.O.S. (1,1-Dichloro-3,3-dimethylbutane)
IATA:Flammable liquid, n.o.s. (1,1-Dichloro-3,3-dimethylbutane)
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
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
GHS02, GHS07
信号词 Warning
危害声明 H226-H315-H319-H335
警示性声明 P261-P305 + P351 + P338
个人防护装备 Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲) Xi
风险声明 (欧洲) 10-36/37/38
安全声明 (欧洲) 16-26-36/37/39
危险品运输编码 UN 1993 3/PG 3
WGK德国 3
包装等级 III
危险类别 3.2
海关编码 2903199000

~92%

6130-96-7结构式

6130-96-7

文献:Verkruijsse, H.D.; Brandsma, L. Synthetic Communications, 1990 , vol. 20, # 21 p. 3355 - 3358

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6130-96-7结构式

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6130-96-7结构式

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文献:Journal of the American Chemical Society, , vol. 117, # 14 p. 3952 - 3962

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文献:Journal of the American Chemical Society, , vol. 67, p. 1438 Journal of the American Chemical Society, , vol. 68, p. 1652,1656

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详细
文献:Journal of the American Chemical Society, , vol. 67, p. 1438 Journal of the American Chemical Society, , vol. 68, p. 1652,1656

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6130-96-7结构式

6130-96-7

文献:Journal of the American Chemical Society, , vol. 67, p. 1438 Journal of the American Chemical Society, , vol. 68, p. 1652,1656 Journal of the American Chemical Society, , vol. 71, p. 698,700

1.制法:

6130-96-7 preparation

于装有搅拌器、通气导管的反应瓶中,加入叔丁基氯(2)186g(2mol),无水三氯化铝9g,冷至-30℃,搅拌下通入氯乙烯气体(3)(由1,2-二氯乙烷250g、氢氧化钠150g、无水乙醇200mL,于50~90℃反应产生),约1.5h通完。而后于30min内升温至-15℃,剧烈搅拌下加入2mol/L的盐酸150mL。分出有机层,用水洗涤(100mL×2),无水硫酸镁干燥。室温下减压蒸去过量的氯乙烯,得粗产品311g,收率约100%。蒸馏收集147~149℃的馏分,得1,1-二氯-3,3-二甲基丁烷(1)280g,收率90%。

海关编码 2903199000
中文概述 2903199000 其他无环烃的饱和氯化衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%