4-ブロモ-3-ニトロ安息香酸メチル

Methyl 4-bromo-3-nitrobenzoate

HCID 2736829

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2363-16-8
標準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
単同位体質量: 258.94802

名称と識別子

優先名称: Methyl 4-bromo-3-nitrobenzoate
IUPAC: methyl 4-bromo-3-nitrobenzoate
現地名: 4-ブロモ-3-ニトロ安息香酸メチル
英語名: Methyl 4-bromo-3-nitrobenzoate
分子式: C8H6BrNO4
分子量: 260.04

名称と別名

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

名称をさらに表示

4-ブロモ-3-ニトロ安息香酸メチル4-ブロモ-3-ニトロ-安息香酸メチルエステル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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.3
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: 2
重原子数: 14
形式電荷: 0
複雑度: 240

物理化学的性質

融点: 102 · 102-103°C
沸点: 320.9 · 320.9±22.0 °C(Predicted)
比重(密度): 1.673 · 1.673±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Toluene
外見: powder to crystal
色: White to Orange to Green
CAS データベース: 2363 · 2363-16-8(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.