4-Amino-3,5-dibromobenzonitrile
Basic information
- CAS
58633-04-8- Standard SMILES
N#Cc1cc(Br)c(N)c(Br)c1- InChIKey
UWIGJWZPRNWPBK-UHFFFAOYSA-N- Molecular formula
- C7H4Br2N2
- Average molar mass
- 275.93 g/mol
- Monoisotopic mass
- 273.87412
Names & identifiers
- Preferred name
- 4-Amino-3,5-dibromobenzonitrile
- IUPAC
- 4-amino-3,5-dibromobenzonitrile
- English name
- 4-Amino-3,5-dibromobenzonitrile
- Molecular formula
- C7H4Br2N2
- Molecular weight
- 275.93
Names & synonyms
4-amino-3,5-dibromobenzonitrile58633-04-8DTXSID60370675RefChem:289870DTXCID20321709MFCD03094688SCHEMBL2670914CK1048AKOS015995317PS-5889SY025755CS-0157747
Show more names
4-Cyano-2,6-dibromoaniline3,5-Dibromo-4-aminobenzonitrileBenzonitrile, 4-amino-3,5-dibromo-3,5-dibromo-4-aminobenzenemethylnitrile
2,6-Dibromo-4-cyanoanilineAMY3014FT-0731199A8693954-amino-3,5-dibromo-benzonitrileDA-04645F024449
Database identifiers
- CAS
58633-04-8- PubChem CID
- 2735314
- DTXSID
DTXSID60370675
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 124 · 124-126℃
- Boiling point
- 312 ℃ · 312℃
- Density
- 2.12 · 2.12
- Flash point
- 113 ℃ · 113℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- -2.4 · -2.40±0.10(Predicted)
- Appearance
- Off-white to light yellow Powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…