Basic information
- CAS
6375-05-9- Standard SMILES
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1N- InChIKey
QQSSZTDQUIRFNT-UHFFFAOYSA-N- Molecular formula
- C7H8N2O6S
- Average molar mass
- 248.22 g/mol
- Monoisotopic mass
- 248.01030715
Names & identifiers
- Preferred name
- 5-Amino-4-methoxy-2-nitrobenzenesulphonic acid
- IUPAC
- 5-amino-4-methoxy-2-nitrobenzenesulfonic acid
- English name
- 5-amino-4-methoxy-2-nitrobenzenesulfonic acid
- Molecular formula
- C7H8N2O6S
- Molecular weight
- 248.21
Names & synonyms
5-amino-4-methoxy-2-nitrobenzenesulfonic acid6375-05-95-Amino-4-methoxy-2-nitrobenzenesulphonic acidNSC6057645-amino-4-methoxy-2-nitrobenzene-1-sulfonic acidNSC6386982-Nitro-4-methoxy-5-aminobenzenesulfonic acid5-amino-4-methoxy-2-nitro-benzenesulfonic acidC7H8N2O6SSCHEMBL343408SCHEMBL343409CHEMBL2005717
Show more names
3-Amino-4-methoxy-6-nitrobenzenesulfonic acidBenzenesulfonic acid, 5-amino-4-methoxy-2-nitro-
DTXSID10213184QQSSZTDQUIRFNT-UHFFFAOYSA-NEINECS 228-930-4BBL019901MFCD00035908STL196699AKOS016035906NSC-605764
Database identifiers
- CAS
6375-05-9- PubChem CID
- 80774
- DTXSID
DTXSID10213184- ChEMBL
CHEMBL2005717- EC Number
- 228-930-4
- Nikkaji
- J168.472H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.651 · 1.651±0.06 g/cm3(Predicted)
- pka
- -1.75 · -1.75±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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