4-(Chloromethyl)benzonitrile

HCID 70127CAS 874-86-2

기본 정보

표준 SMILES: N#Cc1ccc(CCl)cc1
InChIKey: LOQLDQJTSMKBJU-UHFFFAOYSA-N
분자식: C8H6ClN
평균 분자량: 151.59 g/mol
단동위원소 질량: 151.0188769

이름 및 식별자

우선 이름: 4-(Chloromethyl)benzonitrile
IUPAC: 4-(chloromethyl)benzonitrile
영어명: 4-(Chloromethyl)tolunitrile
분자식: C8H6ClN
분자량: 151.59

이름 및 동의어

4-(Chloromethyl)benzonitrile874-86-24-Cyanobenzyl Chloridep-Cyanobenzyl chlorideNSC 6307CCRIS 5103EINECS 212-869-5NSC 44855DTXSID20236329RefChem:515662DTXCID70158820212-869-5

이름 더 보기

α-Chloro-p-tolunitrileThe cyano benzyl chlorideAKOS B030136p-CyanobenzylchloridLetrozole Impurity 36à-chloro-p-tolunitrileChloroMethyl)benzonitril

4-(Chloromethyl)tolunitrile4-Chloromethylbenzonitrile4-Chloromethyl-benzonitrileBenzonitrile, 4-(chloromethyl)-3-CyanobenzylchlorideMFCD000197614-(chloromethyl)benzenecarbonitrileNSC-6307

데이터베이스 식별자

CAS: 874-86-2
PubChem CID: 70127
DTXSID: DTXSID20236329
UNII: ES52GBM5WR
EC Number: 212-869-5
Nikkaji: J180.818D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 77 °C · 77 °C
끓는 점: 263 °C · 263 °C
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 황백색에서 연한 노란색
BRN: 742357 · 742357
InChI: InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChIKey: LOQLDQJTSMKBJU-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(CCl)C=C1
NIST: 4 · 4-(CH2Cl)-C6H4-CN(874-86-2)

화학적 성질

White to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)；Skin Corr. 1B (100%)

안전 데이터

wgk: 2
ridadr: 3276
HS 번호: 29269090
risk_code: 20/21-65-36/37/38-32-23/25-34-22
hazard_code: T,C
safety_code: 23-36-45-36/37/39-26-24/25
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

3-Amino-4-methylbenzoic acid (4-시아노벤질)포스폰산디에틸에스테르 4-시아노페닐아세토니트릴97 95%discontinued 10/25/01">4-Chloromethylbenzaldehyde; >95%discontinued 10/25/01 3-아미노-4-메틸렌조니트릴 2-(4-시아노페닐)아세토페논

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]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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