1-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene

HCID 20163306CAS 89634-76-4

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)c(Cl)cc1C(F)(F)F
InChIKey: BNRUORLMVKXHTL-UHFFFAOYSA-N
분자식: C7H2ClF4NO2
평균 분자량: 243.54 g/mol
단동위원소 질량: 242.9710186

이름 및 식별자

우선 이름: 1-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
IUPAC: 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
영어명: Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-
분자식: C7H2ClF4NO2
분자량: 243.54

이름 및 동의어

89634-76-41-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzeneDTXSID50603181RefChem:75350DTXCID30553938964-874-3Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-5-chloro-4-fluoro-2-nitrobenzotrifluorideSCHEMBL10812794EN300-43360482

데이터베이스 식별자

CAS: 89634-76-4
PubChem CID: 20163306
DTXSID: DTXSID50603181
EC Number: 964-874-3

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 254

물리화학적 성질

끓는 점: 231.9 · 231.9±40.0 °C(Predicted)
밀도: 1.613 · 1.613±0.06 g/cm3(Predicted)

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.