3'-플루오로-비페닐-2-카르복실산

2-(3-fluorophenyl)benzoic Acid

HCID 2782684

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2094-03-3
표준 SMILES: O=C(O)c1ccccc1-c1cccc(F)c1
InChIKey: GEZNPQHOTCPFEL-UHFFFAOYSA-N
분자식: C13H9FO2
평균 분자량: 216.21 g/mol
단동위원소 질량: 216.05865769

이름 및 식별자

우선 이름: 2-(3-fluorophenyl)benzoic Acid
IUPAC: 2-(3-fluorophenyl)benzoic acid
현지명: 3'-플루오로-비페닐-2-카르복실산
영어명: 3'-Fluoro-biphenyl-2-carboxylic acid
분자식: C13H9FO2
분자량: 216.21

이름 및 동의어

2-(3-fluorophenyl)benzoic Acid2094-03-3DTXSID20382214RefChem:251545DTXCID503332393'-Fluoro-[1,1'-biphenyl]-2-carboxylic acid3'-Fluoro-biphenyl-2-carboxylic acidMFCD034264882-biphenyl-3'-fluoro-carboxylic acid3'-fluorobiphenyl-2-carboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-3'-fluoro[1,1'-biphenyl]-2-carboxylic acid

이름 더 보기

3'-플루오로-비페닐-2-카르복실산AKOS BAR-0166RARECHEM AL BE 1360TIMTEC-BB SBB0074921,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-3′-Fluoro-[1,1′-biphenyl]-2-carboxylic acid, CAS 2094-03-3

3'-Fluoro-[1,1'-biphenyl]-2-carboxylicacidSCHEMBL269851CHEMBL4088163SCHEMBL31397801GEZNPQHOTCPFEL-UHFFFAOYSA-N3'-Fluoro-2-biphenylcarboxylic acidSBB007492AKOS004117465

데이터베이스 식별자

CAS: 2094-03-3
PubChem CID: 2782684
DTXSID: DTXSID20382214
ChEMBL: CHEMBL4088163
EC Number: 672-467-4

물성

구조 계산 물성

XLogP: 3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 254

물리화학적 성질

끓는 점: 344.7 · 344.7±17.0 °C(Predicted)
밀도: 1.261 · 1.261±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.76 · 3.76±0.36(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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.