벤젠메탄올,2,6-디플루오로-4-히드록시-(9CI)

3,5-Difluoro-4-(hydroxymethyl)phenol

HCID 22219975

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 438049-36-6
표준 SMILES: OCc1c(F)cc(O)cc1F
InChIKey: RQMJWCOEDWMJLS-UHFFFAOYSA-N
분자식: C7H6F2O2
평균 분자량: 160.12 g/mol
단동위원소 질량: 160.03358587

이름 및 식별자

우선 이름: 3,5-Difluoro-4-(hydroxymethyl)phenol
IUPAC: 3,5-difluoro-4-(hydroxymethyl)phenol
현지명: 벤젠메탄올,2,6-디플루오로-4-히드록시-(9CI)
영어명: Benzenemethanol, 2,6-difluoro-4-hydroxy- (9CI)
분자식: C7H6F2O2
분자량: 160.12

이름 및 동의어

438049-36-63,5-difluoro-4-(hydroxymethyl)phenolDTXSID30623509RefChem:486820DTXCID70574263814-243-22,6-DIFLUORO-4-HYDROXYBENZYL ALCOHOLMFCD110401732,6-Difluoro-4-hydroxybenzylalcohol3,5-difluoro-4-hydroxymethyl-phenolSCHEMBL404840326-Difluoro-4-hydroxybenzyl alcohol

이름 더 보기

벤젠메탄올,2,6-디플루오로-4-히드록시-(9CI)3,5-Difluoro-4-(hydroxymethyl)pheno3,6-difluoro-2-(hydroxymethyl)-phenol2,6-Difluoro-4-hydroxybenzenemethanolBenzenemethanol, 2,6-difluoro-4-hydroxy-Benzenemethanol, 2,6-difluoro-4-hydroxy- (9CI)2,6-Difluoro-4-hydroxybenzyl alcohol, (2,6-Difluoro-4-hydroxyphenyl)methanol

ZB1452BBL103608STL557418AKOS006307033GS-4454SY067215DB-014223CS-0019187

데이터베이스 식별자

CAS: 438049-36-6
PubChem CID: 22219975
DTXSID: DTXSID30623509
EC Number: 814-243-2

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 120

물리화학적 성질

끓는 점: 286 · 286.0±35.0 °C(Predicted)
밀도: 1.454 · 1.454±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 7.77 · 7.77±0.23(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.