4-(クロロメチル)-5-メチル-2-フェニルオキサゾール

4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole

HCID 9794289CAS 103788-61-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1oc(-c2ccccc2)nc1CCl
InChIKey: VCTKYTBWZTZPHF-UHFFFAOYSA-N
分子式: C11H10ClNO
平均分子量: 207.65 g/mol
単同位体質量: 207.04509162

名称と識別子

優先名称: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
IUPAC: 4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
現地名: 4-(クロロメチル)-5-メチル-2-フェニルオキサゾール
英語名: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
分子式: C11H10ClNO
分子量: 207.66

名称と別名

103788-61-04-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazoleDTXSID70430779RefChem:97401DTXCID30381612825-524-44-(chloromethyl)-5-methyl-2-phenyloxazole4-chloromethyl-5-methyl-2-phenyl-oxazoleMFCD008009404-chloromethyl-5-methyl-2-phenyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazole; [5-Methyl-2-phenyloxazol-4-yl]methyl Chloride; 4-(Chloromethyl)-5-methyl-2-phenyloxazole; 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole; 4-Chloromethyl-2-phenyl-5-methyloxazoleChloromethyl-5-methyl-2-phenyloxazole

名称をさらに表示

4-(クロロメチル)-5-メチル-2-フェニルオキサゾール4-Chloromethyl-2-phenyl-5-methyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazoleOxazole, 4-(chloromethyl)-5-methyl-2-phenyl-[5-Methyl-2-phenyloxazol-4-yl]methyl chloride(5-methyl-2-phenyl-4-oxazolyl)methyl chloride

2-phenyl-4-(chloromethyl)-5-methyloxazoleSCHEMBL503999CHEMBL5173270VCTKYTBWZTZPHF-UHFFFAOYSA-NDEA78861SBB093933AKOS001289751BS-9833

データベース識別子

CAS: 103788-61-0
PubChem CID: 9794289
DTXSID: DTXSID70430779
ChEMBL: CHEMBL5173270
EC Number: 825-524-4
Nikkaji: J1.981.227H

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 182

物理化学的性質

融点: 83 °C · 83 °C
沸点: 0 °C · 0°C
比重(密度): 1.188 · 1.188
闪点: 0 °C · 0°C
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): -0.12 · -0.12±0.26(Predicted)
色: ホワイトからオフホワイト

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.