1-(4-브로모페닐)시클로프로판카르보니트릴,97

1-(4-Bromophenyl)Cyclopropanecarbonitrile

HCID 2795273

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 124276-67-1
표준 SMILES: N#CC1(c2ccc(Br)cc2)CC1
InChIKey: BWPZBXQENXGRQV-UHFFFAOYSA-N
분자식: C10H8BrN
평균 분자량: 222.08 g/mol
단동위원소 질량: 220.98401136

이름 및 식별자

우선 이름: 1-(4-Bromophenyl)Cyclopropanecarbonitrile
IUPAC: 1-(4-bromophenyl)cyclopropane-1-carbonitrile
현지명: 1-(4-브로모페닐)시클로프로판카르보니트릴,97
영어명: 1-(4-Bromophenyl)cyclopropanecarbonitrile, 97
분자식: C10H8BrN
분자량: 222.08

이름 및 동의어

124276-67-11-(4-Bromophenyl)CyclopropanecarbonitrileDTXSID70383610RefChem:224924DTXCID40334634895-321-31-(4-bromophenyl)cyclopropane-1-carbonitrileCYCLOPROPANECARBONITRILE, 1-(4-BROMOPHENYL)-MFCD013143081-(4-Bromo-phenyl)-cyclopropanecarbonitrile1-(4-BROMOPHENYL)CYCLOPROPANECARBONITRILE, 971-(4-Bromophenyl)-1-cyclopropanecarbonitrile

이름 더 보기

1-(4-브로모페닐)시클로프로판카르보니트릴,971-(4-Bromophenyl)-1-cyanocyclopropane1-(4-Bromophenyl)cyclopropan-carbonitrile

SCHEMBL23001-(4-BroBWPZBXQENXGRQV-UHFFFAOYSA-NZEA27667AKOS009264550AB08515(4-bromophenyl)-cyclopropanecarbonitrile1-(4-bromophenyl)cyclopropancarbonitrile

데이터베이스 식별자

CAS: 124276-67-1
PubChem CID: 2795273
DTXSID: DTXSID70383610
EC Number: 895-321-3
Nikkaji: J2.228.656K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 82 · 82-84°
끓는 점: 321.4 · 321.4±35.0 °C(Predicted)
밀도: 1.53 · 1.53
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H8BrN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey: BWPZBXQENXGRQV-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Br)C=C2)(C#N)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.