클로로부틸로니트릴(4-)

4-Chlorobutyronitrile

HCID 12336CAS 628-20-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
N#CCCCCl
InChIKey
ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
분자식
C4H6ClN
평균 분자량
103.55 g/mol
단동위원소 질량
103.01887687

이름 및 식별자

우선 이름
4-Chlorobutyronitrile
IUPAC
4-chlorobutanenitrile
현지명
클로로부틸로니트릴(4-)
영어명
4-Chlorobutyronitrile
분자식
C4H6ClN
분자량
103.55

이름 및 동의어

4-Chlorobutyronitrile628-20-64-ChlorobutanenitrileButanenitrile, 4-chloro-gamma-ChlorobutyronitrileBUTYRONITRILE, 4-CHLORO-C4H6ClN4-chloro-butyronitrileMFCD00001972.gamma.-Chlorobutyronitrile9JDK6275GPNSC-8410
이름 더 보기
4-클로로뷰티로나이트릴클로로부틸로니트릴(4-)orobutyronitriL4-chloronitrile4- chloridenitrilechlorobutyronitrile4-Chlorbutyronitrile4-chloro-butyronitril4-chloro-butanenitril
1-Chloro-3-cyanopropaneNSC 8410; gamma-ChlorobutyronitrileNSC 8410EINECS 211-031-6BRN 1633582AI3-523254chlorobutyronitrile?-Chlorobutyronitrile

데이터베이스 식별자

CAS
628-20-6
PubChem CID
12336
DTXSID
DTXSID0060850
UNII
9JDK6275GP
EC Number
211-031-6
Nikkaji
J519C

물성

구조 계산 물성

XLogP
0.6
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesSchoenflies notation
LogP0.56
Vapor Pressure1.0 [mmHg]
Physical DescriptionWhite to light yellow liquid; [CHRIS] Colorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점
195 · 195-197 °C (lit.)
밀도
1.095 g/mL · 1.095 g/mL at 20 °C
굴절률
20 · n20/D 1.442(lit.)
인화점
185 °F · 185 °F
저장 조건
Inert atmosphere,Room Temperature
용해도
에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
화학적 성질 · 1건

Clear Colourless Liquid. 4-Chlorobutyronitrile [628-20-6], 4- chlorobutanenitrile, Cl (CH2 )3CN, Mr 103.55, bp 189 – 191℃ (101.3 kPa), d154 1.0934, n20D 1.4413, is a liquid, miscible with ethanol and diethyl ether; it is immiscible with water.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-Chlorobutyronitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; [CAMEO] An eye, nose, and throat irritant; [CHRIS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 3-Chloropropanonitrile.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 및 보호

Exposure Control and Personal Protection · 1건

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

독성 정보

Adverse EffectsOther Poison - Chemical Asphyxiant

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
ET9020000
ridadr
UN 3276 6.1/PG 3
HS 번호
29269095
risk_code
25-36/37/38

화학 및 산업

용도 및 제조

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

용도4-Chlorobutyronitrile (cas# 628-20-6) is a compound useful in organic synthesis.

일반 설명A liquid. Flash point 85°F. Density about 9.7 lb / gal and practically insoluble in water (2 parts/100 parts water). Hence sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

관련 반응

108건
반응 기록 만들기

연결된 노트

불러오는 중…