4-(Bromomethyl)benzonitrile

HCID 86996CAS 17201-43-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
N#Cc1ccc(CBr)cc1
InChIKey
UMLFTCYAQPPZER-UHFFFAOYSA-N
분자식
C8H6BrN
평균 분자량
196.04 g/mol
단동위원소 질량
194.96836

이름 및 식별자

우선 이름
4-(Bromomethyl)benzonitrile
IUPAC
4-(bromomethyl)benzonitrile
영어명
4-Cyanobenzyl bromide
분자식
C8H6BrN
분자량
196.04

이름 및 동의어

4-Cyanobenzyl bromide17201-43-34-(Bromomethyl)benzonitrilep-Cyanobenzyl bromideBenzonitrile, 4-(bromomethyl)-alpha-Bromo-p-tolunitrilep-(Bromomethyl)benzonitrileBenzonitrile, p-(bromomethyl)-p-Tolunitrile, alpha-bromo-NSC 95792p-Toluonitrile, alpha-bromo-RV332B84ZG
이름 더 보기
Para Cyano Benzyl BromideA-BROMO-P-TOLUNITRILE4CNBBAKOS BC-30284-CyanobenzylAKOS BBS-000039704-Cyanobezyl Bromide4-Cynobenzyl bromide
EINECS 241-246-0NSC-95792DTXSID40864744RefChem:515417DTXCID90813227InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H4-bromomethylbenzonitrile4-Bromomethyl-benzonitrile

데이터베이스 식별자

CAS
17201-43-3
PubChem CID
86996
DTXSID
DTXSID40864744
UNII
RV332B84ZG
EC Number
241-246-0
Nikkaji
J266.795I

물성

구조 계산 물성

XLogP
2.2
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
115 · 115-117 °C(lit.)
끓는 점
143 °C · 143 °C / 12mmHg
밀도
1.5466 · 1.5466 (rough estimate)
굴절률
1.655 · 1.6550 (estimate)
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (98.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (35.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (88.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 10 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

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (98.8%)；Eye Dam. 1 (35.3%)；Resp. Sens. 1 (88.2%)

규제 정보

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
HS 번호
29269090
risk_code
34-42/43
hazard_code
C

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 4-(bromomethyl)-: ACTIVE

응용 분야

용도A benzyl halide as postemergence herbicides.

일반 설명4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
常熟市海天医药原料有限公司13913622609

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