1,2,2,3-Propanetetracarbonitrile, ≥96%

Cat No:BME-0083

Description

1,2,2,3-Propanetetracarbonitrile is a four-nitrile compound supplied at ≥96% purity. It is soluble in methanol, with molecular formula, structural identifiers, molecular descriptors, and safety classifications provided for product evaluation.

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Basic Information

Chemical Formula	C₇H₄N₄
Molecular Weight	144.14 g/mol
Storage Conditions	Store at room temperature.
Purity	≥96%
EC Number	691-517-6
English Synonyms	1,2,2,3-Propanetetracarbonitrile; propane-1,2,2,3-tetracarbonitrile
Specification	≥96%
Solubility	Soluble in methanol
PubChem CID	44629878
PubChem SID	528753555
IUPAC Name	propane-1,2,2,3-tetracarbonitrile
InChI	1S/C7H4N4/c8-3-1-7(5-10,6-11)2-4-9/h1-2H2
InChI Key	RAFBXJGDOLMWDJ-UHFFFAOYSA-N
SMILES	C(C#N)C(CC#N)(C#N)C#N
Isomeric SMILES	C(C#N)C(CC#N)(C#N)C#N
GHS Pictograms	GHS06, GHS07
Signal Word	Danger
Hazard Statements	H301: Toxic if swallowed. H311: Toxic in contact with skin. H315: Causes skin irritation. H319: Causes serious eye irritation. H331: Toxic if inhaled.
Precautionary Statements	P261, P264, P270, P271, P280, P321, P330, P302+P352, P304+P340, P305+P351+P338, P361+P364, P362+P364, P405, P403+P233, P501, P264+P265, P301+P316, P337+P317, P332+P317, P316
Shipping Conditions	Standard transport
Available Package Sizes	250mg, 1g
XLogP3	-0.900
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	144.044 Da
Monoisotopic Mass	144.044 Da
Topological Polar Surface Area	95.200 Å²
Heavy Atom Count	11
Complexity	294.000
Covalently Bonded Unit Count	1

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