1,1-二氯-3,3-二甲基丁烷 | 6130-96-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 1,1-二氯-3,3-二甲基丁烷
• 中文别名: 1.1-二氯-3,3-二甲丁烷
• 英文名称: 1,1-dichloro-3,3-dimethylbutane
• 英文别名: 1,1-Dichlor-3,3-dimethyl-butan
• CAS: 6130-96-7
• 化学式: C₆H₁₂Cl₂
• mdl: MFCD00000854
• 分子量: 155.067
• InChiKey: BLRPQFOUUPCTED-UHFFFAOYSA-N

物化性质

• 熔点：
  −56 °C(lit.)
• 沸点：
  146-148 °C(lit.)
• 密度：
  1.027 g/mL at 25 °C(lit.)
• 闪点：
  98 °F
• 保留指数：
  871
• 稳定性/保质期：
  避免光、明火和高温环境。

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  8
• 可旋转键数：
  2
• 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：
  3.2
• 危险品标志：
  Xi
• 安全说明：
  S16,S26,S36/37/39
• 危险类别码：
  R10,R36/37/38
• 海关编码：
  2903199000
• 包装等级：
  III
• 危险类别：
  3.2
• 危险品运输编号：
  UN 1993 3/PG 3
• 储存条件：
  请将药品存放在密闭、阴凉干燥的地方。

SDS

---

Section 1. 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

---

Section 2. 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 word Warning
Hazard statement(s)
H226 Flammable liquid and vapour.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10 Flammable.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S16 Keep away from sources of ignition - No smoking.
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
Other hazards - none

---

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

---

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
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

---

Section 5. 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.

---

Section 6. 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.

---

Section 7. 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

---

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
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).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: -56 °C - lit.
point
f) Initial boiling point and 146 - 148 °C - lit.
boiling range
g) Flash point 37 °C - closed cup
h) Evaporation 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 1,027 g/cm3 at 25 °C
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

---

Section 10. 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

---

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 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
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes 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

---

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
no data available
Other adverse effects
no data available

---

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. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1993 IMDG: 1993 IATA: 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: 3 IMDG: 3 IATA: 3
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

制备方法与用途

化学性质：

• 液体，熔点为 -56°C，沸点为 146-148°C，相对密度为 1.027，折光率为 1.4388。易燃，闪点为 36°C。

用途： 主要用于特比萘芬的中间体生产。

生产方法： 通过氯代叔丁烷与氯乙烯加成制得。

反应信息

• 作为反应物：
  描述：

  1,1-二氯-3,3-二甲基丁烷 在 sodium amide 、 mineral oil 作用下， 生成 3,3-二甲基-1-丁炔
  参考文献：
  名称：

  Pomerantz et al., Journal of Research of the National Bureau of Standards (United States), 1954, vol. 52, p. 59,60

  摘要：

  DOI：
• 作为产物：
  描述：

  氯代叔丁烷 、 氯乙烯 在 三氯化铝 作用下， 生成 1,1-二氯-3,3-二甲基丁烷
  参考文献：
  名称：

  Braendstroem, Acta Chemica Scandinavica (1947), 1959, vol. 13, p. 608

  摘要：

  DOI：
• 作为试剂：
  描述：

  对二甲苯 在 三氯化铝 、 1,1-二氯-3,3-二甲基丁烷 、 甲基环己烷 作用下， 生成 2-(3,3-二甲基-丁基)-1,4-二甲基-苯
  参考文献：
  名称：

  Hydrogen Transfer during the Alkylation of p-Xylene and of p-Chlorotoluene¹

  摘要：

  DOI：

  10.1021/ja01520a032

文献信息

• Nickel Complexes of a Pincer NN₂ Ligand: Multiple Carbon−Chloride Activation of CH₂Cl₂ and CHCl₃ Leads to Selective Carbon−Carbon Bond Formation
  作者：Zsolt Csok、Oleg Vechorkin、Seth B. Harkins、Rosario Scopelliti、Xile Hu

  DOI：10.1021/ja8025938

  日期：2008.7.1

  lithium and nickel complexes, including Ni(II) methyl, ethyl, and phenyl complexes, were synthesized. The Ni(II) alkyl complexes react cleanly with alkyl halides including chlorides to form C-C coupled products and Ni(II) halides. More interestingly, the Ni(II) alkyls undergo unprecedented reactions with CH2Cl2 and CHCl3 to cleave all the C-Cl bonds and replace them with C-C bonds. The reactions are highly

  合成了一种新的钳型双（氨基）胺 (NN2) 配体及其锂和镍配合物，包括 Ni(II) 甲基、乙基和苯基配合物。Ni(II) 烷基配合物与烷基卤化物（包括氯化物）完全反应，形成 CC 偶联产物和 Ni(II) 卤化物。更有趣的是，Ni(II) 烷基与 CH2Cl2 和 CHCl3 发生前所未有的反应，裂解所有 C-Cl 键并用 CC 键取代它们。该反应具有高度选择性，并导致 CH2Cl2 与烷基格氏试剂的首次有效催化偶联。在几分钟内实现了 82% 的转化率和 47 的营业额。还实现了 CD2Cl2 和 1,1-二氯-3,3-二甲基丁烷与 nBuMgCl 的偶联。初步的机理研究表明这些反应是一个自由基引发的过程。
• Nickel Complexes of a Pincer Amidobis(amine) Ligand: Synthesis, Structure, and Activity in Stoichiometric and Catalytic CC Bond-Forming Reactions of Alkyl Halides
  作者：Oleg Vechorkin、Zsolt Csok、Rosario Scopelliti、Xile Hu

  DOI：10.1002/chem.200802059

  日期：2009.4.6

  Get a grip! NiII complexes of the new pincer amidobis(amine) ligand are described. The Ni chloride complex catalyzes Kumada–Corriu–Tamao coupling of unactivated alkyl halides with alkyl Grignard reagents, as well as double C–C coupling of CH2Cl2 with alkyl Grignard reagents (see schemes).

  控制！描述了新的钳制酰胺双（胺）配体的Ni II配合物。氯化镍配合物催化未活化的烷基卤化物与烷基格氏试剂的Kumada–Corriu–Tamao偶联，以及CH 2 Cl 2与烷基格氏试剂的双重C–C偶联（参见方案）。
• [EN] PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES<br/>[FR] COMPOSES DE PYRIMIDINE ET UTILISATION DE CEUX-CI COMME PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2003076415A1

  公开（公告）日：2003-09-18

  The present invention relates to a pyrimidine compound of formula (1): wherein R1 is C3-C7 alkynyl; R2 is hydrogen, halogen, or C¿1?-C3 alkyl; and R?3 is C¿1-C8 alkyl that may be substituted with halogen or C1-C3 alkoxy, or C3-C6 cycloalkyl (that may be substituted with halogen or C1-C3 alkyl) C1-C3 alkyl; a pesticidal composition comprising the pyrimidine compound as an active ingredient; and a method for controlling pests comprising applying the pyrimidine compound to pests or habitats of pests.

  本发明涉及一种式（1）的嘧啶化合物：其中R1为C3-C7炔基；R2为氢、卤素或C1-C3烷基；R3为C1-C8烷基，可以被卤素或C1-C3烷氧基取代，或者C3-C6环烷基（可以被卤素或C1-C3烷基取代）C1-C3烷基；一种包含该嘧啶化合物作为活性成分的杀虫剂组合物；以及一种控制害虫的方法，包括将该嘧啶化合物施用于害虫或害虫栖息地。
• Process for producing tetrakis(Faryl)borate salts
  申请人：——

  公开号：US20040068134A1

  公开（公告）日：2004-04-08

  The liquid ethereal medium or liquid hydrocarbyl medium of a solution or slurry of an alkali metal tetrakis( F aryl)borate is substituted with at least one halogenated hydrocarbon, without isolating the alkali metal tetrakis( F aryl)borate, to form a new slurry or solution. At least a portion of the new solution is mixed together with a salt selected from a) a protic ammonium salt, b) an onium salt, and c) a triarylmethyl salt, to produce a protic ammonium tetrakis( F aryl)borate, an onium tetrakis( F aryl)borate, or a triarylmethyl tetrakis( F aryl)borate.

  将含有碱金属四(芳基)硼酸盐的溶液或浆料中的液体乙醚介质或液体烃基介质用至少一种卤代烃代替，而无需分离碱金属四(芳基)硼酸盐，形成新的浆料或溶液。将新溶液的至少一部分与选择自a) 一种质子铵盐、b) 一种烷盐和c) 三芳基甲基盐的盐混合在一起，以生成一个质子铵四(芳基)硼酸盐、一个烷四(芳基)硼酸盐或一个三芳基甲基四(芳基)硼酸盐。
• Pyrimidine compounds and their use as pesticides
  申请人：Mizuno Hajime

  公开号：US20050171130A1

  公开（公告）日：2005-08-04

  The present invention relates to a pyrimidine compound of formula (1): wherein R 1 is C 3 -C 7 alkynyl; R 2 is hydrogen, halogen, or C 1 -C 3 alkyl; and R 3 is C 1 -C 8 alkyl that may be substituted with halogen or C 1 -C 3 alkoxy, or C 3 -C 6 cycloalkyl (that may be substituted with halogen or C 1 -C 3 alkyl) C 1 -C 3 alkyl; a pesticidal composition comprising the pyrimidine compound as an active ingredient; and a method for controlling pests comprising applying the pyrimidine compound to pests or habitats of pests.

  本发明涉及一种式为（1）的嘧啶化合物：其中，R1为C3-C7炔基；R2为氢、卤素或C1-C3烷基；R3为C1-C8烷基，可被卤素或C1-C3烷氧基或C3-C6环烷基（可被卤素或C1-C3烷基取代）C1-C3烷基取代；一种包含上述嘧啶化合物作为活性成分的杀虫剂组合物；以及一种控制害虫的方法，包括将上述嘧啶化合物施用于害虫或害虫栖息地。

表征谱图