2-(9-Anthracenylmethylene)propanedinitrile
Basic information
- CAS
55490-87-4- Standard SMILES
N#CC(C#N)=Cc1c2ccccc2cc2ccccc12- InChIKey
RDMANBWYQHJIFZ-UHFFFAOYSA-N- Molecular formula
- C18H10N2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.08439833
Names & identifiers
- Preferred name
- 2-(9-Anthracenylmethylene)propanedinitrile
- IUPAC
- 2-(anthracen-9-ylmethylidene)propanedinitrile
- English name
- (9-Anthrylmethylene)malononitrile
- Molecular formula
- C18H10N2
- Molecular weight
- 254.29
Names & synonyms
55490-87-49-AnthrylidenemalononitrileMALONONITRILE, (9-ANTHRYLMETHYLENE)-NSC 153130BRN 4747922G7I63555ZSNSC-1531302-(9-Anthracenylmethylene)propanedinitrileUNII-G7I63555ZSpropanedinitrile, 2-(9-anthracenylmethylene)-DTXSID70204073Propanedinitrile, (9-anthracenylmethylene)-
Show more names
TIMTEC-BB SBB000932RARECHEM AL BX 0006(9-Anthrylmethylene)malonoitrile(9-anthrylmethylene)-malononitril2-(9-Anthrylmethylidene)malononitrile
RefChem:84534DTXCID70126564(9-Anthrylmethylene)malononitrile2-(Anthracen-9-ylmethylene)malononitrile2-(anthracen-9-ylmethylidene)propanedinitrileMFCD001761072-(9-anthrylmethylene)malononitrile(anthracen-9-ylmethylidene)propanedinitrile
Database identifiers
- CAS
55490-87-4- PubChem CID
- 41459
- DTXSID
DTXSID70204073- ChEMBL
CHEMBL1356663- UNII
- G7I63555ZS
- EC Number
- 146-163-2
- Nikkaji
- J1.100.686H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 7 I63555ZS · G7I63555ZS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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