Basic information
- Standard SMILES
N#CC(C#N)=Cc1cccc2ccccc12- InChIKey
HNVAUTUJXUMGPH-UHFFFAOYSA-N- Molecular formula
- C14H8N2
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.06874826
Names & identifiers
- Preferred name
- Malononitrile, (1-naphthylmethylene)-
- IUPAC
- 2-(naphthalen-1-ylmethylidene)propanedinitrile
- English name
- 2-(naphthalen-1-ylmethylidene)propanedinitrile
- Molecular formula
- C14H8N2
- Molecular weight
- 204.23
Names & synonyms
(1-Naphthylmethylene)malononitrile2972-83-0MALONONITRILE, (1-NAPHTHYLMETHYLENE)-NSC 61945BRN 19495843-09-00-04523 (Beilstein Handbook Reference)RefChem:800803668-239-92-(naphthalen-1-ylmethylidene)propanedinitrile2-(naphthalen-1-ylmethylene)malononitrile2-[(naphthalen-1-yl)methylidene]propanedinitrileNSC-61945
Show more names
Propanedinitrile, 2-(1-naphthalenylmethylene)-
NSC61945naphthalene deriv. 22CBMicro_016319X3RBT3WY4WCHEMBL66074BDBM5188SCHEMBL4820296SCHEMBL29981581
Database identifiers
- CAS
2972-83-0- PubChem CID
- 18092
- DTXSID
DTXSID10183873- ChEMBL
CHEMBL66074- UNII
- X3RBT3WY4W
- EC Number
- 668-239-9
- Nikkaji
- J147.644K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 170 · 170-171.5 °C
- Boiling point
- 401.6 · 401.6±25.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
天津康利欣科技有限公司18622939839
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Linked notes
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