2-(Phenylmethyl)propanedinitrile

HCID 15846
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1867-37-4
Standard SMILES
N#CC(C#N)Cc1ccccc1
InChIKey
ODFHXXQVNHHDDG-UHFFFAOYSA-N
Molecular formula
C10H8N2
Average molar mass
156.18 g/mol
Monoisotopic mass
156.06874826

Names & identifiers

Preferred name
2-(Phenylmethyl)propanedinitrile
IUPAC
2-benzylpropanedinitrile
English name
Benzylmalononitrile
Molecular formula
C10H8N2
Molecular weight
156.18

Names & synonyms

1867-37-4MALONONITRILE, BENZYL-DTXSID10171932RefChem:10619852-(Phenylmethyl)propanedinitrileDTXCID2094423Benzylmalononitrile2-benzylpropanedinitrileBenzylpropanedinitrile2-benzylmalononitrileBenzylmalonodinitrileBenzyl-malonitril
Show more names
Propanedinitrile, 2-(phenylmethyl)-
Benzyl-malonitril [German]BRN 2046120Propanedinitrile, (phenylmethyl)-4-09-00-03359 (Beilstein Handbook Reference)SCHEMBL4656441ODFHXXQVNHHDDG-UHFFFAOYSA-NMFCD01716018AKOS006279863

Database identifiers

CAS
1867-37-4
PubChem CID
15846
DTXSID
DTXSID10171932
Nikkaji
J507.298K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
91 °C · 91°C
Boiling point
270.42 °C · 270.42°C (rough estimate)
Density
1.1566 · 1.1566 (rough estimate)
refractive index
1.482 · 1.4820 (estimate)

Chemistry & industry

Upstream & downstream products

Suppliers3 total

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

Loading…