CAS 74597-04-9 3-(Bromomethyl)phenol (HCID 13740150)

基本情報

CAS: 74597-04-9
標準SMILES: Oc1cccc(CBr)c1
InChIKey: JHQONOCFAYZOEQ-UHFFFAOYSA-N
分子式: C7H7BrO
平均分子量: 187.03 g/mol
単同位体質量: 185.96802694

名称と識別子

優先名称: 3-(Bromomethyl)phenol
IUPAC: 3-(bromomethyl)phenol
現地名: 3-(ブロモメチル)フェノール
英語名: 3-(Bromomethyl)phenol
分子式: C7H7BrO
分子量: 187.03

名称と別名

3-(BROMOMETHYL)PHENOL74597-04-9DTXSID20548111RefChem:494483DTXCID30498895849-475-3MFCD082346553-bromomethylphenolPhenol, 3-(bromomethyl)-m-bromomethylphenol3-bromomethyl-phenol3-[(Bromo)methyl]phenol

名称をさらに表示

3-(ブロモメチル)フェノールAKOS 90890m-(Bromomethyl)phenol3-Hydroxybenzylbromide3-(Bromomethyl)phenol CAS NO.74597-04-96-Quinolinesulfonylchloride,1,2-dihydro-4-oxo-

ZCA59704DS-176853-Bromomet3-BromomethyphenolAMY22500A865856SCHEMBL4342003-HYDROXYBENZYL BROMIDE

データベース識別子

CAS: 74597-04-9
PubChem CID: 13740150
DTXSID: DTXSID20548111
EC Number: 849-475-3
Nikkaji: J2.450.557J

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: 1
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

沸点: 272 ℃ · 272℃
比重(密度): 1.593 · 1.593
闪点: 118 ℃ · 118℃
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 9.55 · 9.55±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全データ

ridadr: 2810
hazard_class: 6.1
packing_group: Ⅱ

化学と産業

応用分野

使用3-(Bromomethyl)phenol is a reagent used in synthesis of furan-based heterocycles. Also used in the preparation of tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues as σ2 receptors.