4-((Trifluoromethyl)thio)benzene-1,2-diamine dihydrochloride
Basic information
- CAS
1313012-28-0- Standard SMILES
Cl.Cl.Nc1ccc(SC(F)(F)F)cc1N- InChIKey
YPVPAPUNFXTHPC-UHFFFAOYSA-N- Molecular formula
- C7H9Cl2F3N2S
- Average molar mass
- 281.13 g/mol
- Monoisotopic mass
- 279.9815593
Names & identifiers
- Preferred name
- 4-((Trifluoromethyl)thio)benzene-1,2-diamine dihydrochloride
- IUPAC
- 4-(trifluoromethylsulfanyl)benzene-1,2-diamine;dihydrochloride
- English name
- 4-((TrifluoroMethyl)thio)benzene-1,2-diaMine dihydrochloride
- Molecular formula
- C7H9Cl2F3N2S
- Molecular weight
- 281.1259696
Names & synonyms
1313012-28-04-((Trifluoromethyl)thio)benzene-1,2-diamine dihydrochlorideMFCD230995654-(trifluoromethylsulfanyl)benzene-1,2-diamine;dihydrochloride1,2-Benzenediamine, 4-[(trifluoromethyl)thio]-, hydrochloride (1:2)4-[(Trifluoromethyl)thio]benzene-1,2-diamine DihydrochlorideYPVPAPUNFXTHPC-UHFFFAOYSA-NSCHEMBL2016801DTXSID207366774-((Trifluoromethyl)thio)benzene-1,2-diaminedihydrochlorideAKOS016000195SB82192
Show more names
DS-17126SY112773DB-152255CS-0157034C72251F2146234-((TRIFLUOROMETHYL)THIO)BENZENE-1,2-DIAMINE 2HCL4-[(Trifluoromethyl)sulfanyl]benzene-1,2-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
1313012-28-0- PubChem CID
- 67249072
- DTXSID
DTXSID20736677
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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