RARECHEM알BD0477

(2,2-Difluoro-1,3-dioxaindan-5-yl)methanol

HCID 12814281

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72768-97-9
표준 SMILES: OCc1ccc2c(c1)OC(F)(F)O2
InChIKey: PJPDSEYHEHGLOH-UHFFFAOYSA-N
분자식: C8H6F2O3
평균 분자량: 188.13 g/mol
단동위원소 질량: 188.02850049

이름 및 식별자

우선 이름: (2,2-Difluoro-1,3-dioxaindan-5-yl)methanol
IUPAC: (2,2-difluoro-1,3-benzodioxol-5-yl)methanol
현지명: RARECHEM알BD0477
영어명: RARECHEM AL BD 0477
분자식: C8H6F2O3
분자량: 188.13

이름 및 동의어

(2,2-difluoro-1,3-dioxaindan-5-yl)methanolRefChem:394358836-975-172768-97-9(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methanol(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)METHANOL(2,2-Difluoro-1,3-benzodioxol-5-yl)methanol(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-methanol2,2-Difluoro-5-(hydroxymethyl)-1,3-benzodioxoleMFCD062026991,3-Benzodioxole-5-methanol, 2,2-difluoro-PB17336

이름 더 보기

RARECHEM알BD0477RARECHEM AL BD 0477RARECHEM AL BD 0477 (Related Reference)2,2-Difluoro-1,3-benzodioxole-5-methanol2,2-Difluorobenzo[d][1,3]dioxole-5-methanol

AS-31676SY041906(2,2-difluorobenzo[1,3]dioxol-5-yl)methanol(2, 2-difluoro-1, 3-benzodioxol-5-yl)-methanol(2,2-difluoro-1,3-bSCHEMBL351795orb3031695DTXSID00510538

데이터베이스 식별자

CAS: 72768-97-9
PubChem CID: 12814281
DTXSID: DTXSID00510538
EC Number: 836-975-1
Nikkaji: J3.102.827B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 229.1 · 229.1±40.0 °C(Predicted)
밀도: 1.51 · 1.51±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.24 · 14.24±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.