5-Methyl-1,2-oxazole-3-carbonitrile 分子结构式
HCID24229456

5-Methyl-1,2-oxazole-3-carbonitrile

C5H4N2O108.1 g/molCAS 57351-99-2

IDENTITY

结构与身份

标准SMILES
Cc1cc(C#N)no1
InChIKey
JTPIMYCMWLOEDD-UHFFFAOYSA-N
分子式
C5H4N2O
平均分子量
108.1 g/mol
单同位素质量
108.03236276

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
49.8 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
8
形式电荷
0
复杂度
126

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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
Hazard Classes and Categories

Acute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);Acute Tox. 3 (100%);STOT SE 3 (66.7%)

ALIASES

名称与别名

共 25 条
57351-99-25-methyl-1,2-oxazole-3-carbonitrileDTXSID50640177RefChem:536793DTXCID70590928640-304-65-Methylisoxazole-3-carbonitrile5-METHYL-3-ISOXAZOLECARBONITRILE5-Methyl-isoxazole-3-carbonitrileMFCD090649403-Cyano-5-methylisoxazole, 97%SCHEMBL523674orb3030492CHEMBL4566517CHEBI:194876JTPIMYCMWLOEDD-UHFFFAOYSA-NFr13793AKOS006343980CS-W016632DS-4995

REACTIONS

参与反应

5
HRID 555182 反应方程式

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08048887B2

查看
HRID 1025210 反应方程式

uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08722688B2

查看
HRID 1672011 反应方程式

uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07994171B2

查看
HRID 1688322 反应方程式

uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148382B2

查看
HRID 1877677 反应方程式

uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309558B2

查看