(Pyren-1-ylmethylene)malononitrile

HCID 290168
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Basic information

CAS
27287-82-7
Standard SMILES
N#CC(C#N)=Cc1ccc2ccc3cccc4ccc1c2c34
InChIKey
KQRUQVGUIFJRBU-UHFFFAOYSA-N
Molecular formula
C20H10N2
Average molar mass
278.3 g/mol
Monoisotopic mass
278.08439832

Names & identifiers

Preferred name
(Pyren-1-ylmethylene)malononitrile
IUPAC
2-(pyren-1-ylmethylidene)propanedinitrile
English name
Propanedinitrile,2-(1-pyrenylmethylene)-
Molecular formula
C20H10N2
Molecular weight
278.3068

Names & synonyms

27287-82-72-(pyren-1-ylmethylidene)propanedinitrile(pyren-1-ylmethylene)malononitrile2-(Pyren-1-ylmethylene)malononitrile1-dicyanovinylpyreneNSC153129starbld00091612-[(pyren-1-yl)methylidene]propanedinitrileSCHEMBL11649829DTXSID30302726KQRUQVGUIFJRBU-UHFFFAOYSA-NC20H10N2
Show more names
Propanedinitrile,2-(1-pyrenylmethylene)-
MFCD00962115NSC-1531292-(pyren-1-ylmethylene)propanedinitrile[(Pyren-1-yl)methylidene]propanedinitrile

Database identifiers

CAS
27287-82-7
PubChem CID
290168
DTXSID
DTXSID30302726
Nikkaji
J1.214.706F

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
22

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers5 total

河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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