4-클로로-알파,알파-디메틸페닐아세트산

2-(4-Chlorophenyl)-2-methylpropionic acid

HCID 80406

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6258-30-6
표준 SMILES: CC(C)(C(=O)O)c1ccc(Cl)cc1
InChIKey: SSFDAZXGUKDEAH-UHFFFAOYSA-N
분자식: C10H11ClO2
평균 분자량: 198.64 g/mol
단동위원소 질량: 198.04475727

이름 및 식별자

우선 이름: 2-(4-Chlorophenyl)-2-methylpropionic acid
IUPAC: 2-(4-chlorophenyl)-2-methylpropanoic acid
현지명: 4-클로로-알파,알파-디메틸페닐아세트산
영어명: 4-Chloro-alpha,alpha-dimethylphenylacetic acid
분자식: C10H11ClO2
분자량: 198.65

이름 및 동의어

2-(4-Chlorophenyl)-2-methylpropionic acidEINECS 228-392-0RefChem:457356228-392-06258-30-62-(4-Chlorophenyl)-2-methylpropanoic acid4-Chloro-alpha,alpha-dimethylphenylacetic acidMFCD000448142-(p-Chlorophenyl)-2-methylpropionic acid4-Chloro-.alpha.,.alpha.-dimethylphenylacetic acid4-CHLORO-a,a-DImethylpHENYLACETIC ACID4-CHLORO-ALPHA,ALPHA-DIMETHYLPHENYLACETICACID

이름 더 보기

4-클로로-알파,알파-디메틸페닐아세트산2-(4-chlorophenyl)-2-methylpropanoate4-Chloro-α,α-dimethylphenylaceticacid4-chloro-à,à-dimethylphenylacetic acid4-Chloro-α,α-dimethylphenylacetic acid4-Chloro-α,α-dimethylbenzeneacetic acid4-CHLOROPHENYL-(2',2'-DIMETHYLACETIC ACID)Benzeneacetic acid, 4-chloro-α,α-dimethyl-

p-chlorophenylisobutyric acidSCHEMBL697244TIMTEC-BB SBB003559DTXSID60978155GAA25830SBB003559AKOS005206943BS-28924

데이터베이스 식별자

CAS: 6258-30-6
PubChem CID: 80406
DTXSID: DTXSID60978155
EC Number: 228-392-0
Nikkaji: J211.482H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 122 · 122-127 °C
끓는 점: 285.11 °C · 285.11°C (rough estimate)
밀도: 1.1698 · 1.1698 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.26 · 4.26±0.10(Predicted)
BRN: 2094056 · 2094056

화학적 성질

white fine powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.