CAS 214470-35-6 6-Nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile (HCID 11053042)

기본 정보

CAS: 214470-35-6
표준 SMILES: N#Cc1c[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIKey: PZIXIFBGEDRCAM-UHFFFAOYSA-N
분자식: C10H5N3O3
평균 분자량: 215.16 g/mol
단동위원소 질량: 215.03309103

이름 및 식별자

우선 이름: 6-Nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile
IUPAC: 6-nitro-4-oxo-1H-quinoline-3-carbonitrile
영어명: 3-Quinolinecarbonitrile, 1,4-dihydro-6-nitro-4-oxo-
분자식: C10H5N3O3
분자량: 215.16

이름 및 동의어

6-nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile214470-35-6RefChem:544090985-531-42305-65-94-hydroxy-6-nitroquinoline-3-carbonitrile3-Quinolinecarbonitrile, 4-hydroxy-6-nitro-6-nitro-4-oxo-1H-quinoline-3-carbonitrileMFCD090405763-Quinolinecarbonitrile, 1,4-dihydro-6-nitro-4-oxo-4-HYDROXY-6-NITRO-3-QUINOLINECARBONITRILE6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

이름 더 보기

SCHEMBL1891369SCHEMBL15320353PZIXIFBGEDRCAM-UHFFFAOYSA-NPIA47035AKOS008093112SB70002WS-03231DB-349328

데이터베이스 식별자

CAS: 214470-35-6
PubChem CID: 11053042
EC Number: 985-531-4

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 98.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 415

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.