Aminomalononitrile p-toluenesulphonate

AMINOMALONONITRILE TOSYLATE · dicyanomethylazanium · Aminomalononitrile p- · AMinoMalonitrile tosylate · 2-Amino malononitrile.TsOH · 2-Amino malono nitrile tosylate · aminomalonitrile p-toluenesulfonate · AMINOMALONONITRILE P-TOLUENESULFOTE

https://huagongshe.com/ko/chemical/563049

Aminomalononitrile p-toluenesulphonate 분자 구조식

식별자 및 물리적 특성

CAS No.	5098-14-6
분자식	C10H11N3O3S
평균 분자량	253.28 g/mol
단동위원소 질량	253.05211239 g/mol
SMILES	Cc1ccc(S(=O)(=O)O)cc1.N#CC(N)C#N
InChIKey	MEUWQVWJLLBVQI-UHFFFAOYSA-N
PubChem CID	563049
EC No.	225-817-1
DTXSID	DTXSID50198981

화학 및 물리적 성질

극성 표면적	136
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	1
무거운 원자 수	17
형식 전하	0
복잡도	310
녹는점	174 °C (dec.) (lit.)
저장 조건	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태	고체
색상	베이지 파우더,
용해도	거의 투명함
BRN	4050747
안정성	흡습성
InChI	InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)104-1-3(6)2-5/h2-5H,1H3,(H,8,9,10)3H,6H2
InChIKey	MEUWQVWJLLBVQI-UHFFFAOYSA-N
SMILES	C1(S(=O)(=O)O)C=CC(C)=CC=1.C(N)(C#N)C#N

안전 및 규제

GHS 분류	WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (10.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 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.
규제 정보	Propanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (95.7%)Skin Irrit. 2 (10.9%)Eye Irrit. 2 (10.9%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3439
관세 코드	2926907090
위험 문구(R)	20/21/22
위험 표시	Xn
안전 문구(S)	36
포장분류	III
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

Aminomalononitrile p-toluenesulfonate was used in the syntheiss of 1-substituted 5-amino-4-cyano-2-hydroxyimidazoles.