CAS 33898-53-2 Aziridine-2-carbonitrile (HCID 118115)

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Basic information

CAS: 33898-53-2
Standard SMILES: N#CC1CN1
InChIKey: PGZUFTROELAOMP-UHFFFAOYSA-N
Molecular formula: C3H4N2
Average molar mass: 68.08 g/mol
Monoisotopic mass: 68.03744813

Names & identifiers

Preferred name: Aziridine-2-carbonitrile
IUPAC: aziridine-2-carbonitrile
English name: aziridine-2-carbonitrile
Molecular formula: C3H4N2
Molecular weight: 68.08

Names & synonyms

Aziridine-2-carbonitrile33898-53-22-CyanoaziridineEINECS 251-725-6DTXSID00955485RefChem:560583DTXCID101383478251-725-62-Aziridinecarbonitrile2-cyano-aziridineCHEMBL177264SCHEMBL3159738

Show more names

2,3-IminopropionitrileAZIRIDINE-2-CARBONITRILE(WXC05978)

SCHEMBL9863128AKOS003587355AKOS024255827FA180645NS00055670

Database identifiers

CAS: 33898-53-2
PubChem CID: 118115
DTXSID: DTXSID00955485
ChEMBL: CHEMBL177264
EC Number: 251-725-6
Nikkaji: J88.892C

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 45.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 78.1

Experimental & physicochemical properties

SpringerMaterials PropertiesElectric dipole moment

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 318 · H318-H301-H315-H331-H311-H335
Precautionary statements: 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H318-H301-H315-H331-H311-H335
Precautionary statements: P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501