2,5-ジアミノ-4,6-ジクロロピリミジン

2,5-ジアミノ-4,6-ジクロロピリミジン · 2,5-ジアミノ-4,6-ジクロロピリミジン塩化物 · 4,6-ジクロロピリミジン-2,5-ジアミン · 4,6-DICHLOROPYRIMIDINE-2,5-DIAMINE · AKOS 90003 · 2,5-Diamino-4,6-Dichloropyrimi · dichloropyriMidine-2,5-diaMine · 4,6-Dichlorpyrimidin-2,5-diamin

https://huagongshe.com/ja/chemical/301039

識別子と物理属性

CAS No.	55583-59-0
分子式	C4H4Cl2N4
平均分子量	179 g/mol
単同位体質量	177.9813015 g/mol
SMILES	Nc1nc(Cl)c(N)c(Cl)n1
InChIKey	ZXWGHENZKVQKPX-UHFFFAOYSA-N
PubChem CID	301039
ChEMBL	CHEMBL2151970
EC No.	611-284-6
DTXSID	DTXSID10306500
現地名	2,5-ジアミノ-4,6-ジクロロピリミジン

化学・物理的性質

XLogP	1.1
極性表面積	77.8
水素結合供与体数	2
水素結合受容体数	4
回転可能結合数	0
重原子数	10
形式電荷	0
複雑度	110
融点	188-191 °C (decomp)
沸点	395.8±52.0 °C(Predicted)
密度	1.715±0.06 g/cm3(Predicted)
貯蔵条件	Keep in dark place,Sealed in dry,Room Temperature
溶解度	DMSO、メタノール（微量）、水（微量）
外観・状態	個体
pKa（酸解離定数）	1.08±0.10(Predicted)
色	淡い赤から薄い赤
InChI	InChI=1S/C4H4Cl2N4/c5-2-1(7)3(6)10-4(8)9-2/h7H2,(H2,8,9,10)
InChIKey	ZXWGHENZKVQKPX-UHFFFAOYSA-N
SMILES	C1(N)=NC(Cl)=C(N)C(Cl)=N1
CAS データベース	55583-59-0(CAS DataBase Reference)

化学的特性

White powder

安全性と法規制

GHS 分類	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (25%): 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 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): 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, 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 4 reports by companies from 4 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Acute Tox. 4 (25%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (50%)
税関コード	2933599590
危険表示	Xi
hazard_note	Irritant

用途

使用

2,5-Diamino-4,6-dichloropyrimidine is used as building block in chemical synthesis.