3-히드록시-2,4,5-트리플루오로벤조산

2,4,5-Trifluoro-3-hydroxybenzoic Acid

HCID 2734270

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 116751-24-7
표준 SMILES: O=C(O)c1cc(F)c(F)c(O)c1F
InChIKey: YYAFUGSJSHXYNK-UHFFFAOYSA-N
분자식: C7H3F3O3
평균 분자량: 192.09 g/mol
단동위원소 질량: 192.00342862

이름 및 식별자

우선 이름: 2,4,5-Trifluoro-3-hydroxybenzoic Acid
IUPAC: 2,4,5-trifluoro-3-hydroxybenzoic acid
현지명: 3-히드록시-2,4,5-트리플루오로벤조산
영어명: 3-Hydroxy-2,4,5-trifluorobenzoic acid
분자식: C7H3F3O3
분자량: 192.09

이름 및 동의어

2,4,5-Trifluoro-3-hydroxybenzoic acidRefChem:442777622-500-33-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-7Benzoic acid, 2,4,5-trifluoro-3-hydroxy-MFCD008003782,4,5-trifluoro-3-hydroxy-benzoic AcidAKOS0001219462.4,5-trifluoro-3-hydroxybenzoic acidCS-0204558EN300-31321

이름 더 보기

3-히드록시-2,4,5-트리플루오로벤조산2,4,5-테트라플루오로-3-하이드록시벤조산4-aminobutane-1-thiolCADR-0023-Hydroxy-23-Hydroxy-2,4,5-trifMoxifloxacin Impurity 85Moxifloxacin Impurity 1752,4,5-Trifluoro-3-Hydroxybenzo3-Carboxy-2,5,6-trifluorophenol

3-Hydroxy-2,4,5-trifluorobenzoic acid, 97%3-Hydroxy-2,4,5-trifluorobenzoicacidA2406Moxifloxacin Impurity N44SCHEMBL1056666DTXSID90370188SBB0630412,4,5-Trifluoro-3-hydroxybenzoic a

데이터베이스 식별자

CAS: 116751-24-7
PubChem CID: 2734270
DTXSID: DTXSID90370188
EC Number: 622-500-3
Nikkaji: J1.635.186E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 143 · 143-147 °C(lit.)
끓는 점: 292.6 · 292.6±40.0 °C(Predicted)
밀도: 1.699 · 1.699±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.75 · 2.75±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChIKey: YYAFUGSJSHXYNK-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=C(F)C(O)=C1F

화학적 성질

white to light yellow crystal 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 42 reports by companies from 5 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: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Hydroxy-2,4,5-trifluorobenzoic acid may be used to synthesize methyl 3-methoxy-2,4,5-trifluorobenzoate and ethyl 3-ethoxy-2,4,5-trifluorobenzoate.