CAS 91182-60-4 5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (HCID 56604559)

基本情報

CAS: 91182-60-4
標準SMILES: Cc1noc(-c2ccc(Br)cc2)c1C(=O)O
InChIKey: GFLKZFOUAHOGJF-UHFFFAOYSA-N
分子式: C11H8BrNO3
平均分子量: 282.09 g/mol
単同位体質量: 280.96875522

名称と識別子

優先名称: 5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
IUPAC: 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
現地名: 5-(4-ブロモフェニル)-3-メチルイソキサゾール-4-カルボン酸
英語名: 5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid
分子式: C11H8BrNO3
分子量: 282.09

名称と別名

91182-60-45-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acidDTXSID80717826RefChem:299819DTXCID906685725-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acidMFCD164470834-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-3-methyl-5-(4-bromophenyl)-3-methyl-4-Isoxazolecarboxylic acidSCHEMBL15635-(4-Bromophenyl)-3-methylisoxazole-4-carboxylicacid

名称をさらに表示

5-(4-ブロモフェニル)-3-メチルイソキサゾール-4-カルボン酸5-(4-Br-Ph)-3-Me-isoxazole-4-carboxylic acid5-(p-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid

GFLKZFOUAHOGJF-UHFFFAOYSA-NCS-M1999EOS-60371AKOS015835662AS-5270SB18059SY066129DB-023591

データベース識別子

CAS: 91182-60-4
PubChem CID: 56604559
DTXSID

物性

構造計算による物性

XLogP: 2.6
極性表面積: 63.3 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 266

物理化学的性質

沸点: 409 ℃ · 409℃
比重(密度): 1.605 · 1.605
闪点: 201 ℃ · 201℃
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.