3,5-디플루오로-4-히드록시벤조산메틸에스테르

Methyl 3,5-difluoro-4-hydroxybenzoate

HCID 53847253

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 170572-47-1
표준 SMILES: COC(=O)c1cc(F)c(O)c(F)c1
InChIKey: GNFQIZAZPRYIFJ-UHFFFAOYSA-N
분자식: C8H6F2O3
평균 분자량: 188.13 g/mol
단동위원소 질량: 188.02850037

이름 및 식별자

우선 이름: Methyl 3,5-difluoro-4-hydroxybenzoate
IUPAC: methyl 3,5-difluoro-4-hydroxybenzoate
현지명: 3,5-디플루오로-4-히드록시벤조산메틸에스테르
영어명: 3,5-difluoro-4-hydroxybenzoic acid Methyl ester
분자식: C8H6F2O3
분자량: 188.13

이름 및 동의어

Methyl 3,5-difluoro-4-hydroxybenzoate170572-47-1DTXSID00707108RefChem:354566DTXCID006578563,5-DIFLUORO-4-HYDROXYBENZOIc acid METHYL ESTERMFCD12406862methyl3,5-difluoro-4-hydroxybenzoateSCHEMBL198937Benzoic acid, 3,5-difluoro-4-hydroxy-, methyl esterGNFQIZAZPRYIFJ-UHFFFAOYSA-NAKOS016012948

이름 더 보기

3,5-디플루오로-4-히드록시벤조산메틸에스테르

FD66549MS-9672SY103810DB-356657CS-0187485C73278EN300-31959653,5-difluoro-4-hydroxy-benzoic acid methyl ester

데이터베이스 식별자

CAS: 170572-47-1
PubChem CID: 53847253
DTXSID: DTXSID00707108
EC Number: 987-793-5
Nikkaji: J1.298.343C

물성

구조 계산 물성

XLogP: 1.8
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: 247.3 · 247.3±40.0 °C(Predicted)
밀도: 1.402 · 1.402±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 5.86 · 5.86±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.