CAS 194938-88-0 Methyl 2,6-difluoro-4-hydroxybenzoate (HCID 22087431)

기본 정보

CAS: 194938-88-0
표준 SMILES: COC(=O)c1c(F)cc(O)cc1F
InChIKey: ZPVGRBTXDTZVIG-UHFFFAOYSA-N
분자식: C8H6F2O3
평균 분자량: 188.13 g/mol
단동위원소 질량: 188.02850037

이름 및 식별자

우선 이름: Methyl 2,6-difluoro-4-hydroxybenzoate
IUPAC: methyl 2,6-difluoro-4-hydroxybenzoate
현지명: 메틸2,6-디플루오로-4-히드록시벤조에이트
영어명: Methyl 2,6-difluoro-4-hydroxybenzoate
분자식: C8H6F2O3
분자량: 188.13

이름 및 동의어

Methyl 2,6-difluoro-4-hydroxybenzoate194938-88-0DTXSID70622354RefChem:812976DTXCID00573108103-163-7MFCD110427962,6-difluoro-4-hydroxybenzoic acid methyl estermethyl 2,6-difluoro-4-hydroxy-benzoateBenzoic acid, 2,6-difluoro-4-hydroxy-, methyl esterSCHEMBL197844ZPVGRBTXDTZVIG-UHFFFAOYSA-N

이름 더 보기

메틸2,6-디플루오로-4-히드록시벤조에이트

Methyl2,6-difluoro-4-hydroxybenzoateAKOS006308879FD67619AS-42874DA-08646CS-0038883EN300-7346142,6-difluoro-4-hydroxy-benzoic acid methyl ester

데이터베이스 식별자

CAS: 194938-88-0
PubChem CID: 22087431
DTXSID: DTXSID70622354
EC Number: 103-163-7

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 294.5 · 294.5±40.0 °C(Predicted)
밀도: 1.402 · 1.402±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.38 · 6.38±0.23(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.