1,3-Benzenediamine, 2,4-dichloro-6-methyl-
Basic information
- CAS
50694-81-0- Standard SMILES
Cc1cc(Cl)c(N)c(Cl)c1N- InChIKey
MGLBJEAIHLGMRL-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2N2
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 190.0064537
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 2,4-dichloro-6-methyl-
- IUPAC
- 2,4-dichloro-6-methylbenzene-1,3-diamine
- English name
- 3,5-Dichloro-2,4-toluenediamine
- Molecular formula
- C7H8Cl2N2
- Molecular weight
- 191.06
Names & synonyms
50694-81-01,3-Benzenediamine, 2,4-dichloro-6-methyl-2,4-dichloro-6-methylbenzene-1,3-diamineDTXSID1073525SCHEMBL118431633,5-Dichloro-2,4-toluenediamine2,4-Dichloro-6-methyl-1,3-benzenediamine
Database identifiers
- CAS
50694-81-0- PubChem CID
- 94534
- DTXSID
DTXSID1073525- Nikkaji
- J89.578D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 304.8 · 304.8±37.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 2,4-dichloro-6-methyl- (50694-81-0)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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