Basic information
- CAS
7139-89-1- Standard SMILES
Nc1cc(S(=O)(=O)O)c(N)cc1S(=O)(=O)O- InChIKey
VOPSFYWMOIKYEM-UHFFFAOYSA-N- Molecular formula
- C6H8N2O6S2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 267.98237798
Names & identifiers
- Preferred name
- 1,4-Benzenedisulfonic acid, 2,5-diamino-
- IUPAC
- 2,5-diaminobenzene-1,4-disulfonic acid
- English name
- 1,4-Phenylenediamine-2,5-disulfonic acid
- Molecular formula
- C6H8N2O6S2
- Molecular weight
- 268.27
Names & synonyms
7139-89-11,4-Benzenedisulfonic acid, 2,5-diamino-2,5-Diamino-1,4-benzenedisulfonic acidEINECS 230-439-5DTXSID3064568RefChem:73079DTXCID80470022,5-diaminobenzene-1,4-disulfonic acidMFCD002724061,4-phenylenediamine-2,5-disulfonic acidC6H8N2O6S22,5-Diaminobenzene-1,4-disulphonic acid
Show more names
DK72814-Phenylenediaminedisulfonicacid2,5-diamino-4-benzenedisulfonicacid2,5-diaminobenzene-1,4-disulfonicaci4-Phenylenediamine-2,5-disulfonicacid2,5-diaminobenzene-1,4-disulfonylacidp-Phenylenediamine-2,5-disulfonic acid4,4'-Diaminobenzene-2,5-disulfonicacid
SCHEMBL1412987SCHEMBL10799051AKOS0158913422,5-diaminobenzene-1,4-disulfonicacidFP36668p-Phenylenediamine-2,5-disulphonic acidAS-64825SY263715
Database identifiers
- CAS
7139-89-1
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Density
- 1.922 · 1.922±0.06 g/cm3(Predicted)
- storage temp.
- RT, protect from light
- pka
- -1.91 · -1.91±0.50(Predicted)
- Appearance
- Off-white to gray Solid
- EPA Substance Registry System
- 1 · 1,4-Benzenedisulfonic acid, 2,5-diamino- (7139-89-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedisulfonic acid, 2,5-diamino-: INACTIVE
Applications
Uses1,4-PHENYLENEDIAMINE-2,5-DISULFONIC ACID is used as a ligand in the synthesis of MOF materials and as a monomer in the synthesis of COF materials, such as NUS-10.
Upstream & downstream products
Upstream raw materials
Suppliers71 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
1 records
Compound notes
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