Basic information
- CAS
1885-23-0- Standard SMILES
N#CC(Br)(Br)C#N- InChIKey
LUNYYTDCIRGSDM-UHFFFAOYSA-N- Molecular formula
- C3Br2N2
- Average molar mass
- 223.85 g/mol
- Monoisotopic mass
- 221.84282
Names & identifiers
- Preferred name
- Dibromomalononitrile
- IUPAC
- 2,2-dibromopropanedinitrile
- English name
- dibromomalononitrile
- Molecular formula
- C3Br2N2
- Molecular weight
- 223.85
Names & synonyms
Dibromomalononitrile2,2-dibromomalononitrile1885-23-02,2-dibromopropanedinitrilePropanedinitrile, dibromo-YP7LTT03Y2DIBROMOALONONITRILEEINECS 217-548-3DIBROMODICYANOMETHANENSC-524674DIBROMOMALONODINITRILEMALONONITRILE, DIBROMO-
Show more names
2,2-Dibromo-2-cyanoacetonitrile
DTXSID10172202NSC 524674PROPANEDINITRILE, 2,2-DIBROMO-RefChem:586494DTXCID6094693217-548-3DIBROMOPROPANEDINITRILEUNII-YP7LTT03Y2
Database identifiers
- CAS
1885-23-0- PubChem CID
- 74666
- DTXSID
DTXSID10172202- UNII
- YP7LTT03Y2
- EC Number
- 217-548-3
- Nikkaji
- J199.707F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 3 °C · 3 °C
- Boiling point
- 49.2 °C · 49.2 °C(Press: 10 Torr)
- Density
- 2.453 · 2.453±0.06 g/cm3(Predicted)
- FDA UNII
- 7 LTT03Y2 · YP7LTT03Y2
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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