((Dimethylamino)methylene)propanedinitrile

NSC 168421 · 3-DIMETHYLAMINO-2-CYANOACRYLONITRILE · ((dimethylamino)methylene)malonitrile · 1-(dimethylamine)-2,2-dicyanoethylene · (Dimethylaminomethylene)malononitrile · 2-DiMethylaMinoMethylene-Malononitrile · 2-CYANO-3-(DIMETHYLAMINO)ACRYLONITRILE · ((dimethylamino)methylene)-malononitril

https://huagongshe.com/ko/chemical/28111

((Dimethylamino)methylene)propanedinitrile 분자 구조식

식별자 및 물리적 특성

CAS No.	16849-88-0
분자식	C6H7N3
평균 분자량	121.14 g/mol
단동위원소 질량	121.06399724 g/mol
SMILES	CN(C)C=C(C#N)C#N
InChIKey	LBUDLOYYNHQKQI-UHFFFAOYSA-N
PubChem CID	28111
EC No.	240-873-7
DTXSID	DTXSID40168572

화학 및 물리적 성질

XLogP	0.3
극성 표면적	50.8
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	189
녹는점	84-85 °C(lit.)
끓는 점	215.85°C (rough estimate)
밀도	1.0556 (rough estimate)
굴절률	1.4690 (estimate)
저장 조건	-20°C Freezer
용해도	메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	-0.31±0.70(Predicted)
색상	베이지색

화학적 성질

Green Solid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 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 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	OO3746000
운송 번호(UN)	UN3276
관세 코드	29269095
위험 문구(R)	20/21/22
위험 표시	Xn,Xi
안전 문구(S)	36
위험 등급	6.1
위험 참고 사항	Irritant

용도

[(Dimethylamino)methylene]malononitrile (cas# 16849-88-0) is a compound useful in organic synthesis.