(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol

HCID 820607CAS 79465-06-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O[C@@H]1c2ccccc2C[C@H]1Br
InChIKey: RTESDSDXFLYAKZ-RKDXNWHRSA-N
分子式: C9H9BrO
平均分子量: 213.07 g/mol

概要

See also: (1S,2S)-2-Bromo-2,3-dihydro-1H-inden-1-ol (annotation moved to).

名称と識別子

優先名称: (1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
IUPAC: (1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol

名称と別名

(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol79465-06-8RefChem:393189984-070-610368-44-2trans-2-Bromo-2,3-dihydro-1H-inden-1-oltrans-2-Bromo-1-indanolMFCD00151318(1r,2r)-2-bromoindan-1-ol1H-Inden-1-ol, 2-bromo-2,3-dihydro-, (1R,2R)-rel-trans-2-Bromo-1-hydroxyindanetrans-2-bromoindan-1-ol

名称をさらに表示

(trans)-2-bromo-1-indanolSCHEMBL1645321trans-(+)-2-bromo-1-indanoltrans-(-)-2-bromo-1-indanolRTESDSDXFLYAKZ-RKDXNWHRSA-Ntrans-(+/-)-2-bromoindan-1-ol(+/-) trans-2-bromo-1-hydroxyindanAKOS015900269

データベース識別子

CAS: 79465-06-8
PubChem CID: 820607
EC Number: 984-070-6
Nikkaji: J732.262C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 148

安全と法規制

GHS分類

GHS Classification · 4 件

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, 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.