1-溴-2-氟乙烷

1-溴-2-氟乙烷 基本信息
CAS号 762-49-2 分子式 C2H4BrF
分子量 126.95600 精确质量  125.94800
PSA  0.00000 LogP  1.35080

基本信息 展开↓

CAS号:
762-49-2
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分子式:
C2H4BrF
分子量:
126.95600
中文名称:
1-溴-2-氟乙烷
英文名称:
1-Bromo-2-fluoroethane
中文别名:
1-溴-2-氟乙烷;
2-氟乙基溴化物
英文别名:
1-Bromo-2-fluoroethane;
1-bromo-2-fluoroethane
精确分子量/精确质量:
125.94800
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
212-100-3
InChI:
InChI=1/C2H4BrF/c3-1-2-4/h1-2H2

生产制备方法及用途展开↓

制备方法


用作医药中间体,用于合成氟罗沙星等药物

用途简介


物化性质展开↓

外观与性状:
淡黄色液体
密度:
1.7 g/cm3
沸点:
71-72.5ºC
闪点:
-1ºC
折射率:
n20/D 1.424(lit.)

安全信息展开↓

包装等级:
II
风险类别:
3.1
危险类别码:
R11
安全说明:
16-26-33-36/37/39-59-45-36/37-28
危险标志:
Xi,N,T+,F

合成路线查看所有的合成路线

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MSDS 展开↓

Name: 1-Bromo-2-fluoroethane Material Safety Data Sheet
Synonym: 2-Fluoroethyl bromide; 2-Bromofluoroethane
CAS: 762-49-2
Section 1 - Chemical Product   MSDS Name:1-Bromo-2-fluoroethane Material Safety Data Sheet
Synonym:2-Fluoroethyl bromide; 2-Bromofluoroethane

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
762-49-2 1-Bromo-2-fluoroethane 99 212-100-3
Hazard Symbols: T+ F N
Risk Phrases: 11 28 36/37/38 59

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Very toxic if swallowed. Irritating to eyes, respiratory system and skin. Dangerous for the ozone layer.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Prolonged or repeated contact may dry/defat the skin and cause irritation.
Ingestion:
May be fatal if swallowed.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
Call a poison control center. If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Patients with fluorohydrocarbon poisoning should not be given epinephrine or similar drugs because of the tendency of fluorohydrocarbon to induce cardiac arrhythmia, including ventricular fibrillation.
Antidote: None reported.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Flammable liquid and vapor. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors. Approach spill from upwind.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 762-49-2: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: pale yellow
Odor: Typical organohalide odor.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71 - 72.5 deg C @ 760 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: -1 deg C ( 30.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.7050 g/cm3
Molecular Formula: C2H4BrF
Molecular Weight: 126.96

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, magnesium.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 762-49-2: KH6610000 LD50/LC50:
CAS# 762-49-2: Oral, rat: LD50 = 5 mg/kg; Skin, rabbit: LD50 = >20 mg/kg.
Rat LCLo inhalation; dose: 11 ppm/4H.
Carcinogenicity:
1-Bromo-2-fluoroethane - Not listed by ACGIH, IARC, or NTP.
Other:
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
Shipping Name: FLAMMABLE LIQUID, TOXIC, N.O.S.*
Hazard Class: 3
UN Number: 1992
Packing Group: I
IMO
Shipping Name: FLAMMABLE LIQUID, TOXIC, N.O.S.
Hazard Class: 3.2
UN Number: 1992
Packing Group: I
RID/ADR
Shipping Name: FLAMMABLE LIQUID, TOXIC, N.O.S.
Hazard Class: 3
UN Number: 1992
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+ F N
Risk Phrases:
R 11 Highly flammable.
R 28 Very toxic if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 59 Dangerous for the ozone layer.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
S 59 Refer to manufacturer/supplier for information
on recovery/recycling.
WGK (Water Danger/Protection)
CAS# 762-49-2: 3
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 762-49-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 762-49-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:1

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:4

8.表面电荷:0

9.复杂度:10

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

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