2-메틸-3-니트로벤질시안화물

(2-Methyl-3-nitrophenyl)acetonitrile

HCID 13530896

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23876-14-4
표준 SMILES: Cc1c(CC#N)cccc1[N+](=O)[O-]
InChIKey: CFNZYZHZLNOYFQ-UHFFFAOYSA-N
분자식: C9H8N2O2
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.0585775

이름 및 식별자

우선 이름: (2-Methyl-3-nitrophenyl)acetonitrile
IUPAC: 2-(2-methyl-3-nitrophenyl)acetonitrile
현지명: 2-메틸-3-니트로벤질시안화물
영어명: 2-Methyl-3-nitrobenzyl cyanide
분자식: C9H8N2O2
분자량: 176.17

이름 및 동의어

23876-14-4(2-methyl-3-nitrophenyl)acetonitrileDTXSID80543081RefChem:206159DTXCID504938672-methyl-3-nitrobenzyl cyanide2-Methyl-3-nitrobenzylcyanide2-(2-methyl-3-nitrophenyl)acetonitrile2-METHYL-3-NITROPHENYLACETONITRILEMFCD08445661BENZENEACETONITRILE, 2-METHYL-3-NITRO-(2-Methyl-3-nitro-phenyl)-acetonitrile

이름 더 보기

2-메틸-3-니트로벤질시안화물2-METHYL-3-NITRO3-Nitro-2-methylphenylacetonitrile2-Methyl-3-nitrobenzylcyanide,2-Methyl-3-nitrophenylacetonitrile

SCHEMBL3842149CFNZYZHZLNOYFQ-UHFFFAOYSA-N2-Methyl-3-nitro phenylacetonitrile2-Methyl-3-nitro-phenylacetonitrileSBB065015AKOS009538061AB452952-(2-methyl-3-nitrophenyl)ethanenitrile

데이터베이스 식별자

CAS: 23876-14-4
PubChem CID: 13530896
DTXSID: DTXSID80543081
EC Number: 183-642-5

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 85 · 85-87 °C
끓는 점: 339.4 · 339.4±27.0 °C(Predicted)
밀도: 1.225 · 1.225±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.