Aminomalononitrile p-toluenesulphonate (HCID 563049)

이름 및 식별자

우선 이름: Aminomalononitrile p-toluenesulphonate
IUPAC: 2-aminopropanedinitrile;4-methylbenzenesulfonic acid
영어명: AMINOMALONONITRILE P-TOLUENESULFONATE
분자식: C10H11N3O3S
분자량: 253.28

이름 및 동의어

5098-14-6Aminomalononitrile p-toluenesulphonateEINECS 225-817-1DTXSID50198981Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)RefChem:557556DTXCID10121472225-817-12-Aminomalononitrile 4-methylbenzenesulfonateAminomalononitrile p-toluenesulfonate2-Aminomalononitrile 4-methylbenzenesulphonateMFCD00012848

이름 더 보기

dicyanomethylazaniumAminomalononitrile p-AMinoMalonitrile tosylate2-Amino malononitrile.TsOH2-Amino malono nitrile tosylateaminomalonitrile p-toluenesulfonateAMINOMALONONITRILE P-TOLUENESULFOTEAMINOMALONONITRILE 4-TOLUENESULFONATE

2-aminopropanedinitrile; 4-methylbenzene-1-sulfonic acid2-aminopropanedinitrile;4-methylbenzenesulfonic acidaminomalononitrile tosylateAminomalonitrile toluene-4-sulfonateCS-W008782SB18326Aminomalononitrile p-Toluenesulfonic AcidAminomalonitrile Tosylate; Aminomalononitrile Tosylate; p-toluenesulfonate Amino-malononitrile; Mono(4-methylbenzenesulfonate) Amino-propanedinitrile

데이터베이스 식별자

CAS: 5098-14-6
PubChem CID: 563049
DTXSID: DTXSID50198981
EC Number: 225-817-1

물성

구조 계산 물성

극성 표면적: 136 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 310

물리화학적 성질

녹는점: 174 °C · 174 °C (dec.) (lit.)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
색상: 베이지 파우더,
수용성: 거의 투명함
BRN: 4050747 · 4050747
안정성: 흡습성
InChI: InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(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

GHS Classification · 5건

Warning

H302 (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.

유해성 정보

Regulatory InformationPropanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (10.9%)；Eye Irrit. 2 (10.9%)；Acute Tox. 4 (95.7%)

규제 정보

Regulatory InformationPropanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 2926907090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids