1-Chloro-3-fluorobenzene

HCID 223087CAS 625-98-9

基本情報

標準SMILES: Fc1cccc(Cl)c1
InChIKey: VZHJIJZEOCBKRA-UHFFFAOYSA-N
分子式: C6H4ClF
平均分子量: 130.55 g/mol
単同位体質量: 129.99855603

名称と識別子

優先名称: 1-Chloro-3-fluorobenzene
IUPAC: 1-chloro-3-fluorobenzene

名称と別名

1-Chloro-3-fluorobenzene625-98-93-Chlorofluorobenzenem-Chlorofluorobenzene3-FluorochlorobenzeneBenzene, 1-chloro-3-fluoro-m-Fluorochlorobenzene1-Chloro-3-fluoro-benzeneMFCD000005693-fluoro-1-chlorobenzeneNSC10271m-fluoro chlorobenzene

名称をさらに表示

3-fluoro-chlorobenzeneSCHEMBL26988SCHEMBL134875SCHEMBL147682SCHEMBL159601SCHEMBL165706SCHEMBL502616SCHEMBL6201152

データベース識別子

CAS: 625-98-9
PubChem CID: 223087
DTXSID: DTXSID70870717
EC Number: 210-919-0
Nikkaji: J95.440C

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 74.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure8.19 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.