CAS 61940-21-4 Methyl 2-(bromomethyl)-6-nitrobenzoate (HCID 21708527)

基本情報

CAS: 61940-21-4
標準SMILES: COC(=O)c1c(CBr)cccc1[N+](=O)[O-]
InChIKey: SJJJFLXTGHEZJB-UHFFFAOYSA-N
分子式: C9H8BrNO4
平均分子量: 274.07 g/mol
単同位体質量: 272.96366984

名称と識別子

優先名称: Methyl 2-(bromomethyl)-6-nitrobenzoate
IUPAC: methyl 2-(bromomethyl)-6-nitrobenzoate
現地名: 2-(ブロモメチル)-6-ニトロ安息香酸メチル
英語名: Methyl 2-bromomethyl-6-nitro-benzoate
分子式: C9H8BrNO4
分子量: 274.07

名称と別名

Methyl 2-(bromomethyl)-6-nitrobenzoate61940-21-4DTXSID70617200RefChem:353909DTXCID30567954822-869-2METHYL 2-BROMOMETHYL-6-NITRO-BENZOATEMFCD04114314Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl estermethyl 2-bromomethyl-6-nitrobenzoate2-Bromomethyl-6-nitrobenzoic Acid Methyl Ester2-bromomethyl-6-nitro-benzoic acid methyl ester

名称をさらに表示

2-(ブロモメチル)-6-ニトロ安息香酸メチル-6-nitrobenzoateLenalidomide Impurity 18Methyl 2-(bromomethyl)-6-nitrobenzoaiteMethyl 2-(bromomethyl)-6-nitrobenzoate 98%Methyl 2-(bromomethyl)-6-nitrobenzoate 98%Methyl 2-(bromomethyl)-6-nitrobenzoate 98%

AKOS015916897AB18050DS-2420Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl ester (9CI, ACI); Methyl 2-(2-bromomethyl)-6-nitrobenzoate; Methyl 2-(Bromomethyl)-6-nitrobenzoateMethyl2-(bromomethyl)-6-nitrobenzoateMethyl 2-(bromomethyl)-6-nitro-benzoateMethyl 2-(2-Bromomethyl)-6-nitrobenzoateLenalidomide Impurity 107

データベース識別子

CAS: 61940-21-4
PubChem CID: 21708527
DTXSID: DTXSID70617200
EC Number: 822-869-2
Nikkaji: J3.367.937H

物性

構造計算による物性

XLogP: 1.3
極性表面積: 72.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 84 · 84-86°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ライトイエロー

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.