4'-Iodobiphenyl-4-carboxylic acid

HCID 816730CAS 5731-12-4

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccc(I)cc2)cc1
InChIKey: YQOGNSIRIUEMTE-UHFFFAOYSA-N
분자식: C13H9IO2
평균 분자량: 324.11 g/mol
단동위원소 질량: 323.96473

이름 및 식별자

우선 이름: 4'-Iodobiphenyl-4-carboxylic acid
IUPAC: 4-(4-iodophenyl)benzoic acid
영어명: 4'-iodo-4-biphenylcarboxylic acid
분자식: C13H9IO2
분자량: 324.11383

이름 및 동의어

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

이름 더 보기

4'-iodo-4-biphenylcarboxylic aci

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

안전 및 규제

GHS 분류

GHS Classification · 5건

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.