Methyl 4-bromo-2-nitrophenylacetate

HCID 15740598

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 100487-82-9
標準SMILES: COC(=O)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: KHXUTOLCCFWPDH-UHFFFAOYSA-N
分子式: C9H8BrNO4
平均分子量: 274.07 g/mol
単同位体質量: 272.96367

名称と識別子

優先名称: Methyl 4-bromo-2-nitrophenylacetate
IUPAC: methyl 2-(4-bromo-2-nitrophenyl)acetate
英語名: Methyl 2-(4-bromo-2-nitrophenyl)acetate
分子式: C9H8BrNO4
分子量: 274.07

名称と別名

Methyl 4-bromo-2-nitrophenylacetateRefChem:816253800-912-6methyl 2-(4-bromo-2-nitrophenyl)acetate100487-82-9Benzeneacetic acid, 4-bromo-2-nitro-, methyl esterMFCD09027267METHYL2-(4-BROMO-2-NITROPHENYL)ACETATEmethyl (4-bromo-2-nitrophenyl)acetateMethyl 4-Bromo-2-nitrophenylacetaemethyl 2-(4-bromo-2-nitrophenyl) acetatemethyl 2-(4-bromo-2-nitroph

名称をさらに表示

Methyl4-bromo-2-nitrophenylacetate98%4-Bromo-2-nitrobenzeneacetic acid methyl ester(4-BroMo-2-nitro-phenyl)-acetic acid Methyl ester4-Bromo-2-nitrophenylacetic acid methyl ester, 5-Bromo-2-(2-methoxy-2-oxoethyl)nitrobenzene

SCHEMBL1613045SCHEMBL30314841DTXSID40577761KHXUTOLCCFWPDH-UHFFFAOYSA-NAKOS015835562AS-68362SY103834methyl 2-(4-bromo-2-nitro-phenyl)acetate

データベース識別子

CAS: 100487-82-9
PubChem CID: 15740598
DTXSID: DTXSID40577761
EC Number: 800-912-6

物性

構造計算による物性

XLogP: 2.2
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

沸点: 331.7 · 331.7±27.0 °C(Predicted)
比重(密度): 1.609 · 1.609±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature

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 (100%): 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 2 reports by companies from 1 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.