4-溴-3-硝基苯甲酸甲酯

Methyl 4-bromo-3-nitrobenzoate

HCID 2736829CAS 2363-16-8

子结构检索查找相似结构

基本信息

标准SMILES: COC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIKey: BNNDHGPPQZVKMX-UHFFFAOYSA-N
分子式: C8H6BrNO4
平均分子量: 260.04 g/mol
单同位素质量: 258.94802

名称与标识

首选名称: Methyl 4-bromo-3-nitrobenzoate
IUPAC: methyl 4-bromo-3-nitrobenzoate
中文名: 4-溴-3-硝基苯甲酸甲酯
英文名: Methyl 4-bromo-3-nitrobenzoate
分子式: C8H6BrNO4
分子量: 260.04

名称与别名

methyl 4-bromo-3-nitrobenzoate2363-16-8DTXSID70371633RefChem:355625DTXCID90322667640-148-94-bromo-3-nitrobenzoic acid methyl ester4-Bromo-3-nitro-benzoic acid methyl esterBenzoic acid, 4-bromo-3-nitro-, methyl esterMFCD00553089SCHEMBL1479880AB3929

展开更多名称

甲酯4-溴-3-硝基苯甲酸4-溴-3-硝基苯甲酸甲酯4-溴-3-硝基苯甲酸甲酯(易制爆)4-溴-3-硝基苯甲酸甲酯(易制爆,甄准不供应)4-溴-3-硝基苯甲酸甲酯(CAS号:2363-16-8)RARECHEM AH CK 00433- nitro-4-bromobenzoatemethyl 3-nitro-4-bromobenzoate4-Bromo-3-nitro-benzoic acid metMethyl4-Bromo-3-nitrobenzoate>Methyl 4-bromo-3-nitrobenzoate ,98%

BBL023179STL289871AKOS008903033CS-W005350PS-6037M25962-Bromo-5-(methoxycarbonyl)nitrobenzenemethyl 4-bromo-3-nitro-benzoate

数据库标识

CAS: 2363-16-8
PubChem CID: 2736829
DTXSID: DTXSID70371633
EC Number: 640-148-9
Nikkaji: J258.234A

性质

结构计算性质

XLogP: 2.3
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 240

物理化学性质

熔点: 102 · 102-103°C
沸点: 320.9 · 320.9±22.0 °C(Predicted)
密度: 1.673 · 1.673±0.06 g/cm3(Predicted)
储存条件: Sealed in dry,Room Temperature
溶解度: soluble in Toluene
形态: powder to crystal
颜色: White to Orange to Green
CAS 数据库: 2363 · 2363-16-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.