2,4-Diaminopyrimidine-5-carbonitrile

NSC 135235 · 2,4-DIAMINO-5-CYANO-PYRIMIDINE · 2,4-Diaminopyrimidine-5-carbonitriL · 2,4-DIAMINO-5-PYRIMIDINECARBONITRILE · 2,4-Diaminopyrimidine-5-carbonitrile · 5-Pyrimidinecarbonitrile, 2,4-diamino- · 2,4-Diaminopyrimidine-5-carbonitrile ,97% · 5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)

https://huagongshe.com/ko/chemical/282115

2,4-Diaminopyrimidine-5-carbonitrile 분자 구조식

식별자 및 물리적 특성

CAS No.	16462-27-4
분자식	C5H5N5
평균 분자량	135.13 g/mol
단동위원소 질량	135.05449518 g/mol
SMILES	N#Cc1cnc(N)nc1N
InChIKey	OYUQCQCQLDTRHQ-UHFFFAOYSA-N
PubChem CID	282115
EC No.	813-877-7
DTXSID	DTXSID60300179

화학 및 물리적 성질

XLogP	-0.2
극성 표면적	102
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	159
녹는점	318 °C (decomp)
끓는 점	498.2±55.0 °C(Predicted)
밀도	1.45±0.1 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,2-8°C
용해도	DMF(약간 용해됨, 가열), DMSO(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	3.93±0.10(Predicted)
색상	연노랑

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류	DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (50%): 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]H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.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. 3 (50%)Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
관세 코드	29335990

용도

2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).