4-クロロピリド[2,3-d]ピリミジン

4-クロロピリド[2,3-d]ピリミジン · 4-chloropyrido[2 · 4-Chloropyrido[2,3-d]pyri... · 4-Chloropyrido[2,3-d]pyriMidin · 4-Chloropyrido[2,3-d]pyrimidine · Pyrido[2,3-d]pyrimidine, 4-chloro-

https://huagongshe.com/ja/chemical/569039

識別子と物理属性

CAS No.	28732-79-8
分子式	C7H4ClN3
平均分子量	165.58 g/mol
単同位体質量	165.00937481 g/mol
SMILES	Clc1ncnc2ncccc12
InChIKey	HJBCFHXEOPQFGF-UHFFFAOYSA-N
PubChem CID	569039
EC No.	825-607-5
DTXSID	DTXSID90340987
現地名	4-クロロピリド[2,3-d]ピリミジン

化学・物理的性質

XLogP	1.8
極性表面積	38.7
水素結合供与体数	0
水素結合受容体数	3
回転可能結合数	0
重原子数	11
形式電荷	0
複雑度	142
融点	137-138 °C (decomp)(Solv: heptane (142-82-5))
沸点	297.3±20.0 °C(Predicted)
密度	1.437±0.06 g/cm3(Predicted)
貯蔵条件	under inert gas (nitrogen or Argon) at 2-8°C
pKa（酸解離定数）	0.84±0.30(Predicted)

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
税関コード	2933998090

用途

使用

4-Chloropyrido[2,3-D]pyrimidine is used in preparation of 1,8-naphthyridine compounds as ανβ6 integrin inhibitors useful for treating fibrosis.