3-(クロロメチル)-5-フェニルイソキサゾール

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

HCID 1484769

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 14731-10-3
標準SMILES: ClCc1cc(-c2ccccc2)on1
InChIKey: MLJJRVMANUGETQ-UHFFFAOYSA-N
分子式: C10H8ClNO
平均分子量: 193.63 g/mol
単同位体質量: 193.0294416

名称と識別子

優先名称: 3-(Chloromethyl)-5-phenyl-1,2-oxazole
IUPAC: 3-(chloromethyl)-5-phenyl-1,2-oxazole
現地名: 3-(クロロメチル)-5-フェニルイソキサゾール
英語名: 3-(CHLOROMETHYL)-5-PHENYLISOXAZOLE
分子式: C10H8ClNO
分子量: 193.63

名称と別名

3-(chloromethyl)-5-phenyl-1,2-oxazoleRefChem:494662827-004-23-(chloromethyl)-5-phenylisoxazole14731-10-3Isoxazole, 3-(chloromethyl)-5-phenyl-MFCD01444154Bionet2_000543SCHEMBL14374863-Chloromethyl-5-phenylisoxazoleDTXSID90363313MLJJRVMANUGETQ-UHFFFAOYSA-N

名称をさらに表示

3-(クロロメチル)-5-フェニルイソキサゾールIsoxazole,3-(chloroMethyl)-5-phenyl-3-(Chloromethyl)-5-phenylisoxazole 97%

HMS1365I155-phenyl-3-(chloromethyl)isoxazolePAA731103-(chloromethyl)-5-phenyl-isoxazoleSBB091637AKOS0011075787N-651SSY152062

データベース識別子

CAS: 14731-10-3
PubChem CID: 1484769
DTXSID: DTXSID90363313
EC Number: 827-004-2

物性

構造計算による物性

XLogP: 2.5
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: 13
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 48 · 48-49.5
沸点: 337.6 · 337.6±27.0 °C(Predicted)
比重(密度): 1.222 · 1.222±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: crystalline solid
酸解離定数(Pka): -4.04 · -4.04±0.28(Predicted)
色: Brown
CAS データベース: 14731 · 14731-10-3

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, 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 2 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.