2-イソプロペニルピリジン

2-(1-メチルエテニル)ピリジン · 2-イソプロペニルピリジン · 2-(2-ピリジニル)-1-プロペン · 2-(プロパ-1-エン-2-イル)ピリジン · 2-(prop-1-en-2-yl)pyridine · Einecs 229-404-7 · Axitinib Impurity 46 · 2-isopropenylpyridine

https://huagongshe.com/ja/chemical/81007

識別子と物理属性

CAS No.	6515-13-5
分子式	C8H9N
平均分子量	119.16 g/mol
単同位体質量	119.07349929 g/mol
SMILES	C=C(C)c1ccccn1
InChIKey	MJKIORXNEJFOPX-UHFFFAOYSA-N
PubChem CID	81007
EC No.	229-404-7
DTXSID	DTXSID20983720
現地名	2-イソプロペニルピリジン

化学・物理的性質

XLogP	2.3
極性表面積	12.9
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	1
重原子数	9
形式電荷	0
複雑度	107
融点	170-173 °C
沸点	172-176 °C
密度	0.9706 g/cm3(Temp: 13 °C)
pKa（酸解離定数）	4.87±0.10(Predicted)

安全性と法規制

GHS 分類	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)

GHS 分類

DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Flam. Liq. 3 (100%)