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1,2-二溴-1,1,2-三氯乙烷 | 13749-38-7

中文名称
1,2-二溴-1,1,2-三氯乙烷
中文别名
——
英文名称
1,2-dibromo-1,1,2-trichloroethane
英文别名
1,2-dibromo-1,1,2-trichloro-ethane;1,2-Dibrom-1,1,2-trichlor-aethan;trichloroethylene dibromide;1,2-dibromotrichloroethane
1,2-二溴-1,1,2-三氯乙烷化学式
CAS
13749-38-7
化学式
C2HBr2Cl3
mdl
——
分子量
291.197
InChiKey
VXKOVUFOVCJHBA-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    94-95 °C10 mm Hg(lit.)
  • 密度:
    1.701 g/mL at 25 °C(lit.)
  • 闪点:
    >230 °F

计算性质

  • 辛醇/水分配系数(LogP):
    3.8
  • 重原子数:
    7
  • 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:
    Xi
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3
  • 海关编码:
    2903799090
  • 安全说明:
    S26,S36

SDS

SDS:c57ce54a306af17a976546f15e19b438
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Name: 1 2-Dibromo-1 1 2-trichloroethane 97% Material Safety Data Sheet
Synonym:
CAS: 13749-38-7
Section 1 - Chemical Product MSDS Name:1 2-Dibromo-1 1 2-trichloroethane 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13749-38-7 1,2-Dibromo-1,1,2-trichloroethane 97% 237-330-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
High vapor concentrations may cause drowsiness. May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Appearance: colourless
Odor: mild ether-like odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 200 deg C (> 392.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C2HBr2Cl3
Molecular Weight: 291.174

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, excess heat, temperatures above 200C.
Incompatibilities with Other Materials:
Metals, oxidizing agents, lithium, titanium, manganese.
Hazardous Decomposition Products:
Hydrogen chloride, phosgene, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13749-38-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Dibromo-1,1,2-trichloroethane - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 13749-38-7: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13749-38-7 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 13749-38-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

  • 作为反应物:
    描述:
    1,2-二溴-1,1,2-三氯乙烷一氟化氯 作用下, 以89%的产率得到2-溴-1,1,2-三氯-1-氟乙烷
    参考文献:
    名称:
    Boguslavskaya, L. S.; Chuvatkin, N. N.; Panteleeva, I. Yu., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, # 5, p. 814 - 820
    摘要:
    DOI:
  • 作为产物:
    描述:
    三氯乙烯 作用下, 反应 24.0h, 以75%的产率得到1,2-二溴-1,1,2-三氯乙烷
    参考文献:
    名称:
    甲醇和硫代离子取代简单溴(氯)烯烃的分子内Geminal和Vicinal元素效应。一步替代的示例?
    摘要:
    分子内元素效应k(Br)/ k(Cl)替代双溴氯代烯烃BrC(Cl)= C(Br)Cl(1),BrC(Cl)= CCl(2)(2),Me(2)C =研究了C(Br)Cl(3)和XCH = C(Br)Cl(X = Cl,4; X = Br,5),以及MeO(-)和RS(-)亲核试剂。3没有给出取代,而4和5通过最初的消除(至乙炔)加成路线被MeO(-)取代,随后进行了进一步的反应。在4与硫醇盐的反应中,获得2-10的双生元素效应。RSC(Cl)= C(Cl)Y,Y = SR,Br的形成是由于最初的嗜盐反应,随后将RSCl加到形成的乙炔中。2与MeO(-)的反应产生较高的邻位元素效应,而RS(-)产生较高的双生元素效应。1与MeO(-)和RS(-)离子的反应产生了高(2个数量级)的宝石元素效应,其被解释为表明决定速率的CX键裂解。高的k(Br)/ k(Cl)分子间元素效应(k(1)/ k(Cl(2)C
    DOI:
    10.1021/jo9709357
  • 作为试剂:
    描述:
    氯乙烯1,2-二溴-1,1,2-三氯乙烷 作用下, 生成 1,4-dibromo-1,3-dichloro-butane
    参考文献:
    名称:
    Bromine telomerization
    摘要:
    DOI:
    10.1021/jo01274a036
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文献信息

  • Process for brominating side chain of m-phenoxytoluene
    申请人:Toyo Soda Manufacturing Co., Ltd.
    公开号:US04393246A1
    公开(公告)日:1983-07-12
    A side chain of m-phenoxytoluene is brominated with a polyhalogenated ethane having the formula ##STR1## wherein W and Z respectively represent Cl or Br and X and Y respectively represent Cl, Br or H, as a brominating agent in a liquid phase in the presence of an amorphous carbon.
    将m-苯氧基甲苯的侧链与具有##STR1##式的多卤代乙烷进行溴化反应,其中W和Z分别表示Cl或Br,X和Y分别表示Cl、Br或H,作为液相中的溴化剂,在无定形碳的存在下。
  • Nicodemus, Journal fur praktische Chemie (Leipzig 1954), 1911, vol. <2>83, p. 316
    作者:Nicodemus
    DOI:——
    日期:——
  • Fibreoptic intubation through a laryngeal mask airway facilitated by a guide wire
    作者:M. B. Walburn、J. Cornes、I. G. Ryder
    DOI:10.1046/j.1365-2044.2000.01727-7.x
    日期:2000.10
  • Mailhe, vol. 18, p. 10911
    作者:Mailhe
    DOI:——
    日期:——
  • Manufacture of trifluorochloroethylene
    申请人:KELLOGG M W CO
    公开号:US02667518A1
    公开(公告)日:1954-01-26
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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