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

HCID 20163306CAS 89634-76-4

基本情報

標準SMILES: O=[N+]([O-])c1cc(F)c(Cl)cc1C(F)(F)F
InChIKey: BNRUORLMVKXHTL-UHFFFAOYSA-N
分子式: C7H2ClF4NO2
平均分子量: 243.54 g/mol
単同位体質量: 242.9710186

名称と識別子

優先名称: 1-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
IUPAC: 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
英語名: Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-
分子式: C7H2ClF4NO2
分子量: 243.54

名称と別名

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.4
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 254

物理化学的性質

沸点: 231.9 · 231.9±40.0 °C(Predicted)
比重(密度): 1.613 · 1.613±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.