(4-ブロモ-1-メチル-1H-ピラゾール-5-イル)メタノール

(4-bromo-1-methyl-1H-pyrazol-5-yl)methanol

HCID 57415773

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1276056-83-7
標準SMILES: Cn1ncc(Br)c1CO
InChIKey: YLTQBUUGYXTAHV-UHFFFAOYSA-N
分子式: C5H7BrN2O
平均分子量: 191.03 g/mol
単同位体質量: 189.97417494

名称と識別子

優先名称: (4-bromo-1-methyl-1H-pyrazol-5-yl)methanol
IUPAC: (4-bromo-1-methylpyrazol-5-yl)methanol
現地名: (4-ブロモ-1-メチル-1H-ピラゾール-5-イル)メタノール
英語名: (4-broMo-1-Methyl-1H-pyrazol-5-yl)Methanol
分子式: C5H7BrN2O
分子量: 191.03

名称と別名

(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)METHANOL1276056-83-7DTXSID60725500RefChem:402448DTXCID60676245828-861-5(4-bromo-2-methylpyrazol-3-yl)methanolMFCD18793417(4-Bromo-2-methyl-pyrazol-3-yl)methanol4-Bromo-1-methyl-1H-pyrazole-5-methanol(4-bromo-1-methylpyrazol-5-yl)methan-1-olSCHEMBL15229815

名称をさらに表示

(4-ブロモ-1-メチル-1H-ピラゾール-5-イル)メタノール1H-Pyrazole-5-methanol, 4-bromo-1-methyl-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-methanol(4-Bromo-1-methyl-1h-pyrazol-5-yl)methanol - [B89725]

YLTQBUUGYXTAHV-UHFFFAOYSA-NBBC05683SBB073829STL415100AKOS015920724AB87814AT14439(4-Bromo-1-methyl-5-pyrazolyl)methanol

データベース識別子

CAS: 1276056-83-7
PubChem CID: 57415773
DTXSID: DTXSID60725500
EC Number: 828-861-5

物性

構造計算による物性

XLogP: 0.1
極性表面積: 38.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 101

物理化学的性質

貯蔵温度: Store at room temperature

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)

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.