1,4-디클로로부탄

1,4-Dichlorobutane

HCID 8059CAS 110-56-5

기본 정보

표준 SMILES
ClCCCCCl
InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N
분자식
C4H8Cl2
평균 분자량
127.01 g/mol
단동위원소 질량
126.00030562

개요

1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)

이름 및 식별자

우선 이름
1,4-Dichlorobutane
IUPAC
1,4-dichlorobutane
현지명
1,4-디클로로부탄
영어명
1,4-Dichlorobutane
분자식
C4H8Cl2
분자량
127.01

이름 및 동의어

1,4-DICHLOROBUTANE110-56-5Butane, 1,4-dichloro-Tetramethylene dichloride8326YNM2B3NSC-6288DTXSID5021918RefChem:73234DTXCID401918203-778-1Tetramethylene chlorideMFCD00001011
이름 더 보기
1,4-다이클로로뷰테인1,4-다이클로로부탄1,4-디클로로부탄부탄,1,4-디클로로-테트라메틸렌디염화물DICHLOROBUTANE1,4-Dichlorobu1,4-Dichlorbutan1,4-dichloro-butanCefepime Impurity 9Butane,1,4-dichloro-1,4-Dichloro-n-butane1,4-Dichlorobutane,97%
1,4-Dichlorobutane, 99%NSC 6288EINECS 203-778-1UNII-8326YNM2B3NSC6288Butane,4-dichloro-1,4-dichloro-butaneSCHEMBL21800

데이터베이스 식별자

CAS
110-56-5
PubChem CID
8059
DTXSID
DTXSID5021918
UNII
8326YNM2B3
EC Number
203-778-1
Nikkaji
J5.094F

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
3
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP2.24
Density1.1408 (NTP, 1992) - Denser than water; will sink
Flash Point104 °F (NTP, 1992)
Boiling Point309 °F at 760 mmHg (NTP, 1992)

물리화학적 성질

녹는점
-38 °C · -38 °C (lit.)
끓는 점
161 · 161-163 °C (lit.)
밀도
1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
증기압
5 hPa · 5 hPa (20 °C)
굴절률
20 · n20/D 1.454(lit.)
인화점
104 °F · 104 °F

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.

Warning

H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 224 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butane, 1,4-dichloro-

Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19914

1,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
Hazards SummaryAn irritant; [NTP] May cause eye irritation; [Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane.
Reactive GroupHalogenated Organic Compounds

안전 및 보호

Fire FightingA fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
독성
LD50 orally in Rabbit: 3420 mg/kg
HS 번호
29031980
risk_code
10-36/37/38-39/23/24/25-23/24/25-11

화학 및 산업

용도 및 제조

UsesUsed in organic synthesis (including adiponitrile); [NTP]
General Manufacturing InformationButane, 1,4-dichloro-: ACTIVE

응용 분야

용도Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.

일반 설명Colorless mobile liquid with a mild pleasant odor.

관련 반응

67건

연결된 노트

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