2-(5-Bromopyrimidin-2-yl)propan-2-ol

HCID 58485286

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基本情報

CAS: 1193244-89-1
標準SMILES: CC(C)(O)c1ncc(Br)cn1
InChIKey: MLMQILHYEBYWHX-UHFFFAOYSA-N
分子式: C7H9BrN2O
平均分子量: 217.06 g/mol

名称と識別子

優先名称: 2-(5-Bromopyrimidin-2-yl)propan-2-ol
IUPAC: 2-(5-bromopyrimidin-2-yl)propan-2-ol
英語名: 2-(5-bromopyrimidin-2-yl)propan-2-ol
分子式: C7H9BrN2O
分子量: 217.06

名称と別名

2-(5-bromopyrimidin-2-yl)propan-2-ol1193244-89-1RefChem:458709968-871-8MFCD195438612-Pyrimidinemethanol, 5-bromo-alpha,alpha-dimethyl-2-(5-Bromo-2-pyrimidinyl)-2-propanolSCHEMBL1404057MLMQILHYEBYWHX-UHFFFAOYSA-NTXB24489EOS-60710AKOS015942639

名称をさらに表示

2-Pyrimidinemethanol, 5-bromo-α,α-dimethyl-2-(5-BROMOPYRIMIDIN-2-YL)PROPAN-2-OL 9-BOC-3,9-DIAZA-BICYCLO[3.3.1]NONANE2-(5-BROMOPYRIMIDIN-2-YL)PROPAN-2-OL\n9-BOC-3,9-DIAZA-BICYCLO[3.3.1]NONANE(WXC05145)

SB598992-(5-Bromo-2-pyrimidinyl)-2-propanoAS-65918DA-14709SY269459CS-00367235-Bromo-2-(1-hydroxy-1-methylethyl)pyrimidineEN300-257719

データベース識別子

CAS: 1193244-89-1
PubChem CID: 58485286
EC Number: 968-871-8

物性

構造計算による物性

XLogP: 0.6
極性表面積: 46 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 132

物理化学的性質

沸点: 269.3 · 269.3±20.0 °C(Predicted)
比重(密度): 1.553 · 1.553±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 13.36 · 13.36±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.