4'-Iodobiphenyl-4-carboxylic acid

HCID 816730CAS 5731-12-4

基本情報

標準SMILES: O=C(O)c1ccc(-c2ccc(I)cc2)cc1
InChIKey: YQOGNSIRIUEMTE-UHFFFAOYSA-N
分子式: C13H9IO2
平均分子量: 324.11 g/mol
単同位体質量: 323.96473

名称と識別子

優先名称: 4'-Iodobiphenyl-4-carboxylic acid
IUPAC: 4-(4-iodophenyl)benzoic acid
英語名: 4'-iodo-4-biphenylcarboxylic acid
分子式: C13H9IO2
分子量: 324.11383

名称と別名

5731-12-44'-iodobiphenyl-4-carboxylic acidRefChem:506153690-488-74-(4-iodophenyl)benzoic acid4'-iodo-[1,1'-biphenyl]-4-carboxylic acid4'-iodo-4-biphenylcarboxylic acidMFCD004542554'-iodo[1,1'-biphenyl]-4-carboxylic acidOprea1_707754AA-516/30054022SCHEMBL1972646

名称をさらに表示

4'-iodo-4-biphenylcarboxylic aci

4-(4'-iodophenyl)benzoic acidYQOGNSIRIUEMTE-UHFFFAOYSA-N4-iodo-4'-biphenylcarboxylic acidAC-31752SY391809H824524 inverted exclamation marka-Iodo-4-biphenylcarboxylic acid

データベース識別子

CAS: 5731-12-4
PubChem CID: 816730
EC Number: 690-488-7

物性

構造計算による物性

XLogP: 4.6
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 238

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.