CAS 7064-35-9 5-(P-Tolyl)isoxazole (HCID 270015)

基本情報

CAS: 7064-35-9
標準SMILES: Cc1ccc(-c2ccno2)cc1
InChIKey: BJVLLTZZYAWHGW-UHFFFAOYSA-N
分子式: C10H9NO
平均分子量: 159.18 g/mol
単同位体質量: 159.06841391

名称と識別子

優先名称: 5-(P-Tolyl)isoxazole
IUPAC: 5-(4-methylphenyl)-1,2-oxazole
現地名: 5-(4-メチルフェニル)イソオキサゾール
英語名: 5-(4-Methylphenyl)isoxazole
分子式: C10H9NO
分子量: 159.18

名称と別名

5-(p-Tolyl)isoxazoleRefChem:531480663-165-35-(4-methylphenyl)isoxazole7064-35-95-(4-methylphenyl)-1,2-oxazole5-p-TolylisoxazoleMFCD000305205-(4-methyl-phenyl)-isoxazole5-(p-tolyl)-isoxazoleNSC1119185-(4-methylphenyl)-isoxazole

名称をさらに表示

5-(4-メチルフェニル)イソオキサゾール5-P-トルイルイソキサゾール5-(p-Tolyl)5-(paramethylphenyl)isoazoleIsoxazole, 5-(4-methylphenyl)-Isoxazole, 5-(4-methylphenyl)- (9CI)5-(4-Methylphenyl)-1,2-oxazole, 4-(1,2-Oxazol-5-yl)toluene, 4-(Isoxazol-5-yl)toluene

SCHEMBL2556889DTXSID90296834SCHEMBL2307587SCHEMBL2842410SCHEMBL8922910BJVLLTZZYAWHGW-UHFFFAOYSA-N5-(4-methyl-phenyl)-1,2-oxazoleSBB087370

データベース識別子

CAS: 7064-35-9
PubChem CID: 270015
DTXSID: DTXSID90296834
EC Number: 663-165-3
Nikkaji: J3.289.468B

物性

構造計算による物性

XLogP: 2.4
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: 1
重原子数: 12
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 60 °C · 60 °C
沸点: 290 · 290.0±9.0 °C(Predicted)
比重(密度): 1.082 · 1.082±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): -2.92 · -2.92±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.；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.