Basic information
- CAS
27344-26-9- Standard SMILES
NC1=C(Br)C(=O)C(N)=C(Br)C1=O- InChIKey
NVCGMHKXXQRFFQ-UHFFFAOYSA-N- Molecular formula
- C6H4Br2N2O2
- Average molar mass
- 295.92 g/mol
- Monoisotopic mass
- 293.86395
Names & identifiers
- Preferred name
- 2,5-Diamino-3,6-dibromocyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-diamino-3,6-dibromocyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Cyclohexadiene-1,4-dione,2,5-diamino-3,6-dibromo-
- Molecular formula
- C6H4Br2N2O2
- Molecular weight
- 295.92
Names & synonyms
2,5-diamino-3,6-dibromocyclohexa-2,5-diene-1,4-dione27344-26-9DTXSID90320825RefChem:247242DTXCID10271946NSC3650932,5-Diamino-3,6-dibromo-p-benzoquinoneSCHEMBL9750795NVCGMHKXXQRFFQ-UHFFFAOYSA-NNSC-365093DS-0036772,5-Diamino-3,6-dibromobenzo-1,4-quinone #
Show more names
2,5-diamino-3,6-dibromo-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione,2,5-diamino-3,6-dibromo-
Database identifiers
- CAS
27344-26-9- PubChem CID
- 339261
- DTXSID
DTXSID90320825- Nikkaji
- J591.316K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 310.8 · 310.8±42.0 °C(Predicted)
- Density
- 2.428 · 2.428±0.06 g/cm3(Predicted)
- pka
- 0 · -0+-.0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
上海英士奇生物科技有限公司18738393975 18738393975 · [email protected]
上海眷开生物医药有限公司15052267297 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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