2-(4-플루오로페닐)-2-메틸프로판산

2-(4-Fluorophenyl)-2-methylpropanoic acid

HCID 20163803

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 93748-19-7
표준 SMILES: CC(C)(C(=O)O)c1ccc(F)cc1
InChIKey: IOSAIRIBZLAABD-UHFFFAOYSA-N
분자식: C10H11FO2
평균 분자량: 182.19 g/mol
단동위원소 질량: 182.07430775

이름 및 식별자

우선 이름: 2-(4-Fluorophenyl)-2-methylpropanoic acid
IUPAC: 2-(4-fluorophenyl)-2-methylpropanoic acid
현지명: 2-(4-플루오로페닐)-2-메틸프로판산
영어명: 2-(4-Fluorophenyl)-2-methylpropanoic acid
분자식: C10H11FO2
분자량: 182.19

이름 및 동의어

2-(4-fluorophenyl)-2-methylpropanoic acid93748-19-7DTXSID20603193RefChem:252356DTXCID50553950821-612-1MFCD110369162-(4-Fluorophenyl)-2-methylpropionic acidSCHEMBL1421745AC7352AKOS000745559BS-24617

이름 더 보기

2-(4-플루오로페닐)-2-메틸프로판산Benzeneacetic acid, 4-fluoro-α,α-dimethyl-

SY0235112-(4-fluorophenyl)-2-methylpropanoicacidBCP100722-(4-fluorophenyl)-2-methyl-propanoic acidCS-00944682-(4-fluoro-phenyl)-2-methyl-propionic acidEN300-68812F377835

데이터베이스 식별자

CAS: 93748-19-7
PubChem CID: 20163803
DTXSID: DTXSID20603193
EC Number: 821-612-1

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 193

물리화학적 성질

끓는 점: 268.8 · 268.8±15.0 °C(Predicted)
밀도: 1.175 · 1.175±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.36 · 4.36±0.10(Predicted)

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 29 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.