Basic information
- CAS
42909-29-5- Standard SMILES
COc1cc(N)ccc1N.O=S(=O)(O)O- InChIKey
HAGUXKMTUITVQW-UHFFFAOYSA-N- Molecular formula
- C7H12N2O5S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.04669248
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, 2-methoxy-, sulfate
- IUPAC
- 2-methoxybenzene-1,4-diamine;sulfuric acid
- English name
- 2,5-Diaminoanisole sulfate
- Molecular formula
- C7H12N2O5S
- Molecular weight
- 236.25
Names & synonyms
2-Methoxybenzene-1,4-diammonium sulphate1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)2-Methoxy-p-phenylenediamine sulfate1,4-Benzenediamine, 2-methoxy-, sulfateEINECS 255-999-8EINECS 266-443-9J67P1A29GNp-Phenylenediamine, 2-methoxy-, sulfate42909-29-5METHOXY-P-PHENYLENEDIAMINE SULFATERefChem:415881DTXSID601015775
Show more names
2-methoxybenzene-1,4-diamine1,1,2,2-tetrachlorocyclohexane(4-amino-2-methoxy-phenyl)amine2,5-Diaminoanisole sulfate, >=99%2-methoxy-p-phenylenediaminsulfate2-methoxy-1,4-benzenediaminesulfate2-methoxy-p-phenylenediaminesulfate4-benzenediamine, 2-methoxy- sulfate
2-METHOXY-P-PHENYLENEDIAMINE SULFATE [INCI]255-999-82,5-Diaminoanisole sulfate66671-82-72-Methoxybenzene-1,4-diamine sulfateMFCD000131142-methoxybenzene-1,4-diamine;sulfuric acid2-Methoxy-1,4-benzenediamine sulfate
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- storage temp.
- Store at room temperature, keep dry and cool
- solubility
- Water (Slightly, Heated)
- form
- Solid
- color
- Dark Gray to Very Dark Brown
- Stability
- Hygroscopic
- Cosmetics Ingredients Functions
- HAIR DYEING
- CAS DataBase Reference
- 66671 · 66671-82-7(CAS DataBase Reference)
- FDA UNII
- 67 P1A29GN · J67P1A29GN
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, 2-methoxy-, sulfate (1:1) (66671-82-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- RIDADR
- 2811 · 2811
- TSCA
- TSCA listed
- HazardClass
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,4-Benzenediamine, 2-methoxy-, sulfate
Safety data
- tsca
- TSCA listed
- ridadr
- 2811
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, 2-methoxy-, sulfate (1:1): INACTIVE
Applications
Uses2,5-Diaminoanisole sulfate is cyclized with glycerol in the presence of iodine and potassium iodide to generate 6-methoxy-4,7-phenanthroline. Further oxidation can obtain 4,7-phenanthroline-5,6-diquinone, which is an anti-amebic dysentery and bacillary dysentery drug, and can also be used in hair dyes and organic pigment intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
无锡市凯立生物科技有限公司
Related reactions
1 records
Compound notes
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