2'-트리플루오로메틸비페닐-4-카르복실산

2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid

HCID 2782714

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 198205-79-7
표준 SMILES: O=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIKey: WQKDEUGMDSTMAK-UHFFFAOYSA-N
분자식: C14H9F3O2
평균 분자량: 266.21 g/mol
단동위원소 질량: 266.05546401

이름 및 식별자

우선 이름: 2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid
IUPAC: 4-[2-(trifluoromethyl)phenyl]benzoic acid
현지명: 2'-트리플루오로메틸비페닐-4-카르복실산
영어명: 2'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID
분자식: C14H9F3O2
분자량: 266.22

이름 및 동의어

2'-trifluoromethyl [1,1'-biphenyl]-4-carboxylic acid2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acidRefChem:439735672-180-4198205-79-72'-Trifluoromethyl-biphenyl-4-carboxylic acid2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid4-[2-(trifluoromethyl)phenyl]benzoic Acid2'-trifluoromethylbiphenyl-4-carboxylic acid2'-(Trifluoromethyl)biphenyl-4-carboxylic AcidMFCD034246052'-(Trifluoromethyl)biphenyl

이름 더 보기

2'-트리플루오로메틸비페닐-4-카르복실산AKOS BAR-00224-[2-(trifluoromethyl)phenyl]benzoate4-(2-(Trifluoromethyl)phenyl)benzoic acidTrifluoromethylbiphenyl-4-carboxylic acid4-(2,4-Bis(trifluoromethyl)phenyl)benzoic acid2′-Trifluoromethyl-biphenyl-4-carboxylic acid, CAS 198205-79-7

4-(2-Trifluoromethylphenyl)benzoic acid2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acidSCHEMBL566127[1,1'-Biphenyl]-4-carboxylic acid, 2'-(trifluoromethyl)-2/'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACIDBB 0222374[1,1'-Biphenyl]-4-SCHEMBL29869199

데이터베이스 식별자

CAS: 198205-79-7
PubChem CID: 2782714
DTXSID: DTXSID00382232
EC Number: 672-180-4

물성

구조 계산 물성

XLogP: 4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 319

물리화학적 성질

끓는 점: 380.777 · 380.777±42.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.326 · 1.326±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.072 · 4.072±0.10(predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.