2-メチル-6-ニトロ安息香酸メチル

Methyl 2-methyl-6-nitrobenzoate

HCID 596057CAS 61940-22-5

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1c(C)cccc1[N+](=O)[O-]
InChIKey: XPVBLOOMFDNJTH-UHFFFAOYSA-N
分子式: C9H9NO4
平均分子量: 195.17 g/mol
単同位体質量: 195.05315777

名称と識別子

優先名称: Methyl 2-methyl-6-nitrobenzoate
IUPAC: methyl 2-methyl-6-nitrobenzoate
現地名: 2-メチル-6-ニトロ安息香酸メチル
英語名: METHYL-2METHYL-6-NITRO-BENZOATE
分子式: C9H9NO4
分子量: 195.17

名称と別名

Methyl 2-methyl-6-nitrobenzoate61940-22-5DTXSID50344340RefChem:354401DTXCID60295415822-042-6Methyl 2-Methyl-6-nitro-benzoateMETHYL-2METHYL-6-NITRO-BENZOATEMFCD11042453Benzoic acid, 2-methyl-6-nitro-, methyl esterMethyl2-methyl-6-nitrobenzoateSCHEMBL283363

名称をさらに表示

2-メチル-6-ニトロ安息香酸メチル

2-Methyl-6-nitrobenzoic acid methyl ester2-Methyl-6-nitro-benzoic acid methyl esterMethyl 2-methyl-6-nitrobenzoate; Methyl 6-methyl-2-nitrobenzoate; 6-Nitro-o-toluic Acid Methyl EsterLenalidomide Impurity 22methyl-2-methyl-6-nitrobenzoateLCA94022Methyl 2-methyl-6-nitrobenzoate #AKOS009098673

データベース識別子

CAS: 61940-22-5
PubChem CID: 596057
DTXSID: DTXSID50344340
EC Number: 822-042-6

物性

構造計算による物性

XLogP: 1.1
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: 2
重原子数: 14
形式電荷: 0
複雑度: 235

物理化学的性質

沸点: 283.4 · 283.4±20.0 °C(Predicted)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DCM、メタノール
外見: 個体
色: 茶色

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2916310090

化学と産業

応用分野

使用2-Methyl-6-nitrobenzoic Acid Methyl Ester is an ester derivative of 2-Methyl-nitrobenzoic Acid (M325545), an derivative of Anthranilic Acid (A679220).