结构:Cc1cnc(C)c(C)c1
HCID12759

2,3,5-Trimethylpyridine

C8H11N121.18 g/molCAS 695-98-7

IDENTITY

结构与身份

标准 SMILES
Cc1cnc(C)c(C)c1
InChIKey
GFYHSKONPJXCDE-UHFFFAOYSA-N
分子式
C8H11N
平均分子量
121.18 g/mol
单同位素质量
121.08914936

COMPUTED

结构计算性质

已同步
XLogP
2
极性表面积
12.9 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
9
形式电荷
0
复杂度
90

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1055;1060;1045.2

1076

1484

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.8%): 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, P317, 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 48 reports by companies from 7 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 (10.4%);Acute Tox. 4 (10.4%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (10.4%);STOT SE 3 (95.8%)

ALIASES

名称与别名

41
2,3,5-Trimethylpyridine695-98-72,3,5-COLLIDINEPyridine, 2,3,5-trimethyl-EINECS 211-786-133642OT638DTXSID80219734UNII-33642OT638RefChem:81413DTXCID30142225211-786-1GFYHSKONPJXCDE-UHFFFAOYSA-N2,3,5-Trimethyl pyridineMFCD001268402,3,5-trimethyl-pyridineEsomeprazole Impurity 92,3,5-Trimethyl-pyridinEsomeprazole Impurity 111SCHEMBL74872,3,5-Collidine, 99%

REACTIONS

参与反应

29
HRID144812

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 144812 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID169374

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 169374 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物