2-플루오로-4-하이드록시벤조산

2-Fluoro-4-hydroxybenzoic Acid

HCID 2783398

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65145-13-3
표준 SMILES: O=C(O)c1ccc(O)cc1F
InChIKey: NXWTWYULZRDBSA-UHFFFAOYSA-N
분자식: C7H5FO3
평균 분자량: 156.11 g/mol
단동위원소 질량: 156.02227224

이름 및 식별자

우선 이름: 2-Fluoro-4-hydroxybenzoic Acid
IUPAC: 2-fluoro-4-hydroxybenzoic acid
현지명: 2-플루오로-4-하이드록시벤조산
영어명: 2-Fluoro-4-hydroxybenzoic acid
분자식: C7H5FO3
분자량: 156.11

이름 및 동의어

2-Fluoro-4-hydroxybenzoic Acid65145-13-3DTXSID60382637NXWTWYULZRDBSA-UHFFFAOYSA-RefChem:87075DTXCID40333662613-746-2InChI=1/C7H5FO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)2-fluoro-4-hydroxy-benzoic AcidBenzoic acid, 2-fluoro-4-hydroxy-MFCD01310985SCHEMBL311907

이름 더 보기

2-플루오로-4-하이드록시벤조산RARECHEM AL BO 08144-Carboxy-3-fluorophenol2-Fluoro-4-hydroxybenzoicAcid>Benzoicacid, 2-fluoro-4-hydroxy-

2-fluoro-4-hydroxy benzoic acidAC-3958FS-20352-Fluoro-4-hydroxybenzoic acid, AldrichCPRZ1201620915AM82926FT-06409944-hydroxyfluorobenzoic acid

데이터베이스 식별자

CAS: 65145-13-3
PubChem CID: 2783398
DTXSID: DTXSID60382637
ChEMBL: CHEMBL4239687
EC Number: 613-746-2
Nikkaji: J732.582G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 199 · 199-202
끓는 점: 334.6 · 334.6±27.0 °C(Predicted)
밀도: 1.492 · 1.492±0.06 g/cm3(Predicted)
저장 조건: RT, stored under nitrogen
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3 · 3+-.0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C7H5FO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey: NXWTWYULZRDBSA-UHFFFAOYSA-N
SMILES: Oc1ccc(C(O)=O)c(F)c1

화학적 성질

Pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: WGK 3
HS 번호: 2918290090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Fluoro-4-hydroxybenzoic Acid, is a fluorinated building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is also fluorine substituted 4-hydroxybenzoates, which has been shown to have antioxidant activity.