4,6-Dichloro-2-phenylpyrimidin-5-amine

4,6-Dichloro-2-phenylpyrimidin-5-amine · 5-Amino-4,6-dichloro-2-phenylpyrimidine · 5-Pyrimidinamine, 4,6-dichloro-2-phenyl- · 4,6-Dichloro-2-phenylpyrimidin-5-amine, 5-Amino-4,6-dichloro-2-phenyl-1,3-diazine, (5-Amino-4,6-dichloropyrimidin-2-yl)benzene

https://huagongshe.com/ja/chemical/736673

4,6-Dichloro-2-phenylpyrimidin-5-amine の分子構造式

識別子と物理属性

CAS No.	20959-02-8
分子式	C10H7Cl2N3
平均分子量	240.09 g/mol
単同位体質量	239.0017026 g/mol
SMILES	Nc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIKey	WYMSKTBVPZTMHU-UHFFFAOYSA-N
PubChem CID	736673
ChEMBL	CHEMBL1581179
EC No.	820-107-3
DTXSID	DTXSID00353083

化学・物理的性質

XLogP	3.1
極性表面積	51.8
水素結合供与体数	1
水素結合受容体数	3
回転可能結合数	1
重原子数	15
形式電荷	0
複雑度	197
溶解度	7.9 [ug/mL] (The mean of the results at pH 7.4)
融点	139-141.5 °C(Solv: ethanol (64-17-5)water (7732-18-5))
沸点	258.9±40.0 °C(Predicted)
密度	1.434±0.06 g/cm3(Predicted)
貯蔵条件	2-8°C(protect from light)
pKa（酸解離定数）	-3.40±0.39(Predicted)

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
税関コード	2933599590