4-Bromomethyl benzoyl bromide

HCID 4640671CAS 876-07-3

基本情報

標準SMILES: O=C(Br)c1ccc(CBr)cc1
InChIKey: VUYGJYAPDGKPBF-UHFFFAOYSA-N
分子式: C8H6Br2O
平均分子量: 277.94 g/mol
単同位体質量: 275.87853901

名称と識別子

優先名称: 4-Bromomethyl benzoyl bromide
IUPAC: 4-(bromomethyl)benzoyl bromide
英語名: 4-Bromomethyl benzoyl bromide 96
分子式: C8H6Br2O
分子量: 277.94

名称と別名

4-Bromomethyl benzoyl bromide876-07-3DTXSID60405113RefChem:291119DTXCID60355967627-805-54-(bromomethyl)benzoyl Bromide4-Bromomethylbenzoylbromide4-Bromomethyl benzoyl bromide, 96%4-BROMOMETHYLBENZOYL BROMIDE4-bromomethyl benzoylbromideSCHEMBL35800

名称をさらに表示

4-Bromomethyl benzoyl bromide 96Benzoyl bromide, 4-(bromomethyl)-4-Bromomethyl benzoyl bromide 96%

4-Bromomethyl-benzoyl bromideVUYGJYAPDGKPBF-UHFFFAOYSA-NMFCD00045026AKOS015889346H52875

データベース識別子

CAS: 876-07-3
PubChem CID: 4640671
DTXSID: DTXSID60405113
EC Number: 627-805-5

物性

構造計算による物性

XLogP: 3.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 57 · 57-61 °C (lit.)
沸点: 100 · 100-112 °C/0.5 mmHg (lit.)
外見: 溶融固体
色: 白い
InChI: 1S/C8H6Br2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey: VUYGJYAPDGKPBF-UHFFFAOYSA-N
SMILES: BrCc1ccc(cc1)C(Br)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1A (100%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 35
hazard_code: C
safety_code: 26-27-36/37/39
hazard_class: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1A
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用4-Bromomethyl benzoyl bromide may be used in the preparation of 4-(bromomethyl)-N-[(S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]benzamide and α-methoxy-ω-4-(bromomethyl) benzoic acid ester-poly(ethylene glycol) 2000.

一般的な説明4-Bromomethyl benzoyl bromide is a para-substituted benzoyl bromide.