(2-Fluorobenzylidene)malononitrile

HCID 17606CAS 2698-43-3
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(C#N)=Cc1ccccc1F
InChIKey
XLEWRBXVBOUONK-UHFFFAOYSA-N
Molecular formula
C10H5FN2
Average molar mass
172.16 g/mol
Monoisotopic mass
172.04367633

Names & identifiers

Preferred name
(2-Fluorobenzylidene)malononitrile
IUPAC
2-[(2-fluorophenyl)methylidene]propanedinitrile
English name
2-Fluorobenzalmalononitrile
Molecular formula
C10H5FN2
Molecular weight
172.16

Names & synonyms

2698-43-3MALONONITRILE, (o-FLUOROBENZYLIDENE)-DTXSID40181483(2-Fluorobenzylidene)malononitrileRefChem:1049689DTXCID501039742-[(2-fluorophenyl)methylidene]propanedinitrile2-Fluorobenzylidenemalononitrile2-(2-Fluorobenzylidene)malononitrileNSC6373342-[(2-fluorophenyl)methylene]malononitrile2-FLUOROBENZALMALONONITRILE
Show more names
2-(2-Fluorobenzylidene)propanedinitrilePropanedinitrile, 2-[(2-fluorophenyl)methylene]-
2-(2-Fluoro-benzylidene)-malononitrile2-[(2-fluorophenyl)methylene]propanedinitrileBRN 2613882o-fluorobenzylidenemalononitrileSCHEMBL3369090MFCD00224065AKOS002951720NSC-637334

Database identifiers

CAS
2698-43-3
PubChem CID
17606
DTXSID
DTXSID40181483
Nikkaji
J147.634C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
118.4 · 118.4-118.8 °C
Boiling point
293.4 · 293.4±25.0 °C(Predicted)
Density
1.25 · 1.250±0.06 g/cm3(Predicted)
HS Code
2926907090 · 2926907090

Safety & regulation

Safety data

hs_code
2926907090

Chemistry & industry

Upstream & downstream products

Suppliers2 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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