Methyl 5-fluoro-2-hydroxybenzoate

HCID 2783186

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 391-92-4
표준 SMILES: COC(=O)c1cc(F)ccc1O
InChIKey: DGHBWVVOJLVMFF-UHFFFAOYSA-N
분자식: C8H7FO3
평균 분자량: 170.14 g/mol
단동위원소 질량: 170.0379223

이름 및 식별자

우선 이름: Methyl 5-fluoro-2-hydroxybenzoate
IUPAC: methyl 5-fluoro-2-hydroxybenzoate
영어명: METHYL 5-FLUORO-2-HYDROXYBENZOATE
분자식: C8H7FO3
분자량: 170.14

이름 및 동의어

Methyl 5-fluoro-2-hydroxybenzoate391-92-4DTXSID40382493RefChem:356078DTXCID10333518626-777-1Methyl 5-fluorosalicylateMFCD03427141Benzoic acid, 5-fluoro-2-hydroxy-, methyl ester5-Fluoro-2-hydroxy-benzoic acid methyl esterSCHEMBL1367028AKOS015890199

이름 더 보기

Methyl 2-hydroxy-5-fluorobenzoate4-Fluoro-2-(methoxycarbonyl)phenolMethyl5-fluoro-2-hydroxybenzoate98%Methyl 5-fluoro-2-hydroxybenzoate 98%Methyl 5-fluoro-2-hydroxybenzoate,97%Methyl 5-fluoro-2-hydroxybenzoate, 97% 5GRJR-13536, Methyl 5-fluoro-2-hydroxybenzoate, 96%

Methyl 5-fluoro-2-hydroxybenzoate, 97%SY109922methyl 5-fluoro-2-hydroxy-benzoateAM20040353orb3031643SCHEMBL31258832Fr121065-fluorosalicylic acid methyl ester

데이터베이스 식별자

CAS: 391-92-4
PubChem CID: 2783186
DTXSID: DTXSID40382493
EC Number: 626-777-1
Nikkaji: J2.231.758J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 30 · 30-34
끓는 점: 50 · 50/0.15mm
밀도: 1.309 · 1.309±0.06 g/cm3(Predicted)
인화점: 105 · 105
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.77 · 9.77±0.18(Predicted)
물리적 상태: 저융점 고체
색상: 옅은 노랑

화학적 성질

Pale yellow low melting solid

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.