2-브로모-2-(2'-클로로페닐)아세트산

alpha-Bromo-2-chlorobenzeneacetic acid

HCID 2774031

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 29270-30-2
표준 SMILES: O=C(O)C(Br)c1ccccc1Cl
InChIKey: XHAPROULWZYBGA-UHFFFAOYSA-N
분자식: C8H6BrClO2
평균 분자량: 249.49 g/mol
단동위원소 질량: 247.92396921

이름 및 식별자

우선 이름: alpha-Bromo-2-chlorobenzeneacetic acid
IUPAC: 2-bromo-2-(2-chlorophenyl)acetic acid
현지명: 2-브로모-2-(2'-클로로페닐)아세트산
영어명: 2-Bromo-2-(2'-chlorophenyl) acetic acid
분자식: C8H6BrClO2
분자량: 249.49

이름 및 동의어

29270-30-2RefChem:555410alpha-Bromo-2-chlorobenzeneacetic acidalpha-Bromo-2-chlorophenylacetic acid2-bromo-2-(2-chlorophenyl)acetic Acid141109-25-32-Bromo-2-(2'-chlorophenyl) acetic acidbromo(2-chlorophenyl)acetic acidalpha-Bromo-2-chlorophenyl acetic acidBenzeneacetic acid, alpha-bromo-2-chloro-MFCD03428513a-bromo-2-chlorophenylacetic acid

이름 더 보기

2-브로모-2-(2'-클로로페닐)아세트산2-Bromo-2-(2'-chLα-Bromo-2-chlorobenzeneacetic(2-Chlorophenyl)broMoacetic Acidà-bromo-2-chlorophenylacetic acidA-BROMO 2-CHLOROPHENYLACETIC ACIDα-Bromo-2-chlorobenzeneacetic acidA-BROMO-2-CHLOROBENZENEACETIC ACIDBenzeneacetic acid, a-broMo-2-chloro-α-Bromo-2-chlorophenylacetic Acid >Benzeneacetic acid, α-bromo-2-chloro-

alpha-Bromo(2-Chloro)Phenylacetic AcidAlapha-bromo-(2-chloro)-phenylacetic acid-bromo-2-chlorophenylacetic acid2-Bromo-2-(2-chlorophenyl)aceticacidSCHEMBL365284DTXSID50930989bromo (2-chlorophenyl)acetic acidXHAPROULWZYBGA-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 29270-30-2
PubChem CID: 2774031
DTXSID: DTXSID50930989
EC Number: 604-221-9、608-337-0
Nikkaji: J2.650.101F

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: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 105 · 105-108°C
끓는 점: 316.7 · 316.7±27.0 °C(Predicted)
밀도: 1.747 · 1.747±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.24 · 2.24±0.10(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12)
InChIKey: XHAPROULWZYBGA-UHFFFAOYSA-N
SMILES: OC(=O)C(Br)c1ccccc1Cl

화학적 성질

White to Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

안전 데이터

wgk: 3
ridadr: UN3261
HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: C,Xi
safety_code: 24/25
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Bromo-2-(2-chlorophenyl)acetic Acid is used as an intermediate in the preparation of biologically active compounds such as the antithrombotic Clopidogrel (C587250).