디클로로(1,3-)-2-부텐

1,3-Dichloro-2-butene

HCID 13556CAS 926-57-8

기본 정보

표준 SMILES
CC(Cl)=CCCl
InChIKey
WLIADPFXSACYLS-UHFFFAOYSA-N
분자식
C4H6Cl2
평균 분자량
124.99 g/mol
단동위원소 질량
123.98465555

개요

structure

이름 및 식별자

우선 이름
1,3-Dichloro-2-butene
IUPAC
1,3-dichlorobut-2-ene
현지명
디클로로(1,3-)-2-부텐
영어명
1,3-Dichloro-2-butene
분자식
C4H6Cl2
분자량
125

이름 및 동의어

2-Butene, 1,3-dichloro-926-57-81,3-DICHLORO-2-BUTENEDTXSID70273381,3-DichlorobutyleneJI8009BEDKDTXCID00809570NSC-8749RefChem:414318213-138-31,3-Dichlorobut-2-ene1,3-Dichloro-2-butene (cis- and trans- mixture)
이름 더 보기
디클로로(1,3-)-2-부텐1,3-다이클로로-2-부텐1,3-DICHLORO-2-부텐Isomerengemisch1,3-Dichlor-2-buten1,3-Dichlor-2-butene1,3-dichloro-2-buten1,3-Dichlorobutene-22-Butene,1,3-dichloro-1,3-dichloro-but-2-ene
alpha-1,3-Dichloro-2-buteneSCHEMBL2076271SCHEMBL117555023-chloro-2-buten-1-yl chlorideAKOS028108386D0351NS00077585

데이터베이스 식별자

CAS
926-57-8
PubChem CID
13556
DTXSID
DTXSID7027338
EC Number
213-138-3

물성

구조 계산 물성

XLogP
2.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Aliphatics, Unsaturated

Flammable agents - 3rd degree

LogP2.84
Density · 2건

1.161

Relative density (water = 1): 1.2

Color/FormCLEAR TO STRAW-COLORED LIQUID
Solubility · 3건

INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS

Soluble in acetone, benzene, ether and ethanol

Solubility in water: reaction

Flash Point · 3건

27 °C

80 °F (CLOSED CUP)

27 °C c.c.

물리화학적 성질

녹는점
-27.02 °C · -27.02°C (estimate)
끓는 점
125 · 125-129 °C
밀도
1.16 · 1.16
굴절률
1.469 · 1.469-1.473
인화점
33 °C · 33 °C
저장 조건
0 · 0-6°C

화학적 성질

clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

REACH registered substance: 1,3-dichlorobut-2-ene (EC: 213-138-3)

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Fire HazardsFlammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 27 °C explosive vapour/air mixtures may be formed.
Fire PotentialFIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME.
Hazards Summary · 1건

A skin, eye, and respiratory tract irritant; Exposure to high vapor concentrations can cause severe respiratory distress, lacrimation, and possibly coma; Inhalation of low concentrations may cause CNS depression; May cause kidney, liver, and heart injury; Emergency medical treatment: chlorinated hydrocarbon insecticides; [HSDB] Corrosive to rabbit skin; Occupational exposures demonstrate irritation and corrosive injuries to skin, with the vapor causes eye and respiratory tract irritation; A possible carcinogen based on the structural analog 1,3-Dichloropropene (DCP) CAS # 542-75-6, which has an IARC classification of possible human carcinogen; No evidence of reproductive or developmental toxicity in rats or rabbits; [SIDS UNEP]

UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Special ReportsA REVIEW WITH 17 REFERENCES ON TOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE & 1,4-DICHLORO-BUTENE.[CLARY JJ; TOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE, & 1,4-DICHLORO-2-BUTENE; ENVIRON HEALTH PERSPECT 21: 269 (1977)]

안전 및 보호

Fire FightingUse fine water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.

Safe StorageFireproof. Ventilation along the floor. Well closed. Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Fire Fighting Procedures · 2건

FOAM, CARBON DIOXIDE, DRY CHEMICAL...

If material on fire or involved in fire: Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors. /Dichlorobutene/

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage Disposal · 1건

Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene is expected to have high mobility in soil(SRC). Volatilization of 1,3-dichloro-2-butene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.8X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1,3-dichloro-2-butene from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 12.6 mm Hg(SRC), determined from a fragment constant method(4). The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(5). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in moist soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.8X10-2 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hour and 4.4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 30(SRC), from an estimated log Kow of 2.84(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(8). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dichloro-2-butene, which has an estimated vapor pressure of 12.6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dichloro-2-butene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC). The half-life for the reaction in air with hydroxyl radicals is estimated to be 27 hours(SRC), calculated from its rate constant of 1.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The half-life for the reaction in air with ozone is estimated to be 8 days(SRC), calculated from its rate constants of 1.4X10-18 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesThe substance can be absorbed into the body in hazardous amounts by inhalation of its vapour, through the skin and by ingestion. Serious local effects by all routes of exposure.
Signs and Symptoms · 4건

Cough. Sore throat.

Redness. Pain. Skin burns.

Redness. Pain.

Cough. Burning sensation in the throat and chest.

Effluent ConcentrationsDichlorobutene (isomer not specified) was detected in 1 of 63 industrial effluents (concn of 10-100 ug/L) collected from a wide range of chemical manufacturers across the US(1).
ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.

안전 데이터

tsca
TSCA listed
rtecs
EM4760000
ridadr
1993
HS 번호
29032900
risk_code
36/37/38-20-10
hazard_code
Xn

화학 및 산업

용도 및 제조

Uses · 6건

Used in the pesticide DDB and as an intermediate in organic synthesis; [HSDB] Commercially manufactured and consumed solely as on-site intermediate in the production of 2,3-dichloro-1,3-butadiene (comonomer for polychloroprene synthetic rubber); [SIDS UNEP]

Farming (Pesticides) [Category: Industry]

IN THE PESTICIDE, DDB

Intermediate in production of 19-nortestosterone steroids for use as synthetic sex hormones

A significant amount of 1,3-dichloro-2-butene is purified /from collection from high boilers and still heels in chloroprene production/ and converted to 2,3-dichlorobutadiene for use as a comonomer in chloroprene polymerization

Used as an intermediate in the synthesis of 2,3-dichloro-1,3-butadiene

U.S. Production1-10 million lbs by DuPont in Louisville, KY (1977)
Methods of ManufacturingReaction of 2-chloro-1,3-butadiene with HCl in the presence of a copper chloride catalyst.
Formulations/Preparations95%, mixture of cis and trans isomers
General Manufacturing Information · 2건

2-Butene, 1,3-dichloro-: ACTIVE

Occurs in high boilers and still heels from chloroprene refining

상·하류 제품 정보

공급사31 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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