4-클로로-1-부탄올

4-Chloro-1-butanol

HCID 13569CAS 928-51-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OCCCCCl
InChIKey
HXHGULXINZUGJX-UHFFFAOYSA-N
분자식
C4.H9.Cl.O
평균 분자량
108.57 g/mol
단동위원소 질량
108.03419259

개요

4-chlorobutanol is a primary alcohol that is butan-1-ol substituted by a chloro group at position 4. It has a role as a metabolite. It is a primary alcohol and an organochlorine compound. It is functionally related to a butan-1-ol.

이름 및 식별자

우선 이름
4-Chloro-1-butanol
IUPAC
4-chlorobutan-1-ol
현지명
4-클로로-1-부탄올
영어명
4-Chloro-1-butanol
분자식
C4H9ClO
분자량
108.57

이름 및 동의어

4-Chloro-1-butanol928-51-84-ChlorobutanolTetramethylene chlorohydrin1-BUTANOL, 4-CHLORO-42EI3I5AY0NSC-10810DTXSID2061301CHEBI:87310RefChem:98294DTXCID8048818213-175-5
이름 더 보기
4-클로로-1-부탄올oro-1-butanoL4-Chlorolbutanol4-Choro-1-bytanol4-chloro-1-butano4-CHLOROBUTANOL-14-ChIoro-1-butanoI
4-Chlorobutan-1-ol4-Chloro-1-butane-ol4-chloro-butan-1-ol4-Chlorbutan-1-olMFCD000029674-Chloro-1-butanol (Technical Grade)4-Chlorbutan-1-ol [German]1-chloro-4-butanol

데이터베이스 식별자

CAS
928-51-8
PubChem CID
13569
DTXSID
DTXSID2061301
ChEMBL
CHEMBL2260957
ChEBI
CHEBI:87310
UNII
42EI3I5AY0
EC Number
213-175-5
Nikkaji
J35.120B

물성

구조 계산 물성

XLogP
0.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Alcohols
SpringerMaterials PropertiesSchoenflies notation
LogP0.85
Density1.088 @ 20°C
Vapor Pressure0.35 [mmHg]
Physical DescriptionClear colorless liquid; Contains <= 12% hydrochloric acid (CAS# 7647-01-0) and <= 3% tetrahydrofuran (CAS# 109-99-9); [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점
84 · 84-85 °C/16 mmHg (lit.)
밀도
1.088 g/mL · 1.088 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.453(lit.)
인화점
97 °F · 97 °F
저장 조건
2 · 2-8°C
용해도
메탄올, 클로로포름 및 디메틸 설폭사이드에 용해됩니다.

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards Summary · 1건

Causes muscle contraction or spasticity, ulceration or bleeding from the stomach, and other liver changes in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Targets the CNS, liver, and kidney; [Sigma-Aldrich MSDS] See 1-Chloro-2-propanol and 2-Chloro-1-propanol.

Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

1.6 [mg/m3]

18 [mg/m3]

110 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EL1325000
ridadr
UN 2920 8/PG 2
HS 번호
29055910
risk_code
10-22-36/37/38-20/21/22-34-40

화학 및 산업

용도 및 제조

General Manufacturing Information1-Butanol, 4-chloro-: ACTIVE
응용 분야 · 2건

용도4-Chloro-1-butanol is employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique.

일반 설명4-Chloro-1-butanol, an alkylating agent, is one of the genotoxic impurity in active pharmaceutical ingredients. Reaction of 4-chloro-1-butanol and Reichardt′s dye has been monitored spectrophotometrically for the determination of genotoxic impurities in pharmaceuticals.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명

정의ChEBI: A primary alcohol that is butan-1-ol substituted by a chloro group at position 4.

관련 반응

83건
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