Isoxazole 分子结构式
HCID9254

Isoxazole

1,2-oxazole

C3H3NO69.06 g/molCAS 288-14-2

IDENTITY

结构与身份

标准SMILES
c1cnoc1
InChIKey
CTAPFRYPJLPFDF-UHFFFAOYSA-N
分子式
C3H3NO
平均分子量
69.06 g/mol
单同位素质量
69.02146372

COMPUTED

结构计算性质

已同步
XLogP
0.1
极性表面积
26 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
5
形式电荷
0
复杂度
30

PROPERTIES

实验与物化性质

来源:PubChem
Vapor Pressure

45.5 [mmHg]

Physical Description

Clear light brown liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index

590;590

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H314 (69.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (68.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 5 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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Isoxazole: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

See 3-Amino-5-methylisoxazole.

Hazard Classes and Categories

Flam. Liq. 2 (100%);Skin Corr. 1B (69.5%);Eye Dam. 1 (68.9%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Isoxazole: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

Isoxazole: ACTIVE

ALIASES

名称与别名

共 53 条
ISOXAZOLE288-14-21,2-oxazole1-Oxa-2-azacyclopentadieneIsoxazoles00SRW0M6PWNSC-137774DTXSID7059775CHEBI:35595RefChem:150159DTXCID9037874CHEBI:55373206-018-7IsooxazoleMFCD00003149UNII-00SRW0M6PW2-azafuranEINECS 206-018-7Isoxazole, 99%NSC 137774

REACTIONS

参与反应

12
HRID 242838 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653089B2

查看
HRID 751248 反应方程式

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07405297B2

查看
HRID 1172841 反应方程式

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07834036B2

查看
HRID 1181844 反应方程式

uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2

查看
HRID 1349347 反应方程式

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07211677B2

查看
HRID 1614990 反应方程式

uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08765735B2

查看
HRID 1777416 反应方程式

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09266873B2

查看
HRID 1794616 反应方程式

uspto-grants-2006_04 · 10.6084/m9.figshare.5104873.v1 · US07022852B2

查看