4-(Trifluoromethyl)mandelic acid

HCID 164593CAS 395-35-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)C(O)c1ccc(C(F)(F)F)cc1
InChIKey
SDGXYUQKJPFLDG-UHFFFAOYSA-N
분자식
C9H7F3O3
평균 분자량
220.14 g/mol
단동위원소 질량
220.03472874

개요

structure in first source

이름 및 식별자

우선 이름
4-(Trifluoromethyl)mandelic acid
IUPAC
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid
영어명
4-(Trifluoromethyl)mandelic acid
분자식
C9H7F3O3
분자량
220.15

이름 및 동의어

4-(Trifluoromethyl)mandelic acid395-35-74-Trifluoromethylmandelic acidp-Trifluoromethylmandelic acidp-TFM cpdRefChem:517170206-900-12-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acidMFCD00009724Hydroxy[4-(trifluoromethyl)phenyl]acetic acid4-(Trifluoromethyl)phenylglycolic acid
이름 더 보기
4-(Trifluoromethyl)mandelicacid,98%4-(Trifluoromethyl)mandelic acid 98%4-(trifluoromethyl)benzoglycolis acid4-(Trifluoromethyl)-α-hydroxybenzeneacetic acidα-Hydroxy-4-(trifluoromethyl)benzeneacetic acidBenzeneacetic acid, α-hydroxy-4-(trifluoromethyl)-
DTXSID40960134DS-28582-(4-(trifluoromethyl)phenyl)-2-hydroxyacetic acidAMY2979EINECS 206-900-1FT-0616932A8246062-Hydroxy-2-(4-(trifluoromethyl)phenyl)aceticacid

데이터베이스 식별자

CAS
395-35-7
PubChem CID
164593
DTXSID
DTXSID40960134
EC Number
206-900-1
Nikkaji
J213.633C

물성

구조 계산 물성

XLogP
1.5
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
130 · 130-134 °C
끓는 점
324.2 · 324.2±37.0 °C(Predicted)
밀도
1.367 · 1.3670 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
solid
산도 계수 (pKa)
3.06 · 3.06±0.10(Predicted)

화학적 성질

white to almost white 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
29181990
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
위험 등급
IRRITANT

화학 및 산업

응용 분야

일반 설명Bismuth-catalyzed oxidation of 4-(trifluoromethyl)mandelic acid has been reported.

공급사50 곳

上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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4-(Trifluoromethyl)mandelic acid (HCID 164593)｜Huagongshe