1,3-Benzenediamine, 2-chloro-4-methyl-
Basic information
- CAS
43216-73-5- Standard SMILES
Cc1ccc(N)c(Cl)c1N- InChIKey
YYQCBWFZPBTUKI-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.045426
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 2-chloro-4-methyl-
- IUPAC
- 2-chloro-4-methylbenzene-1,3-diamine
- English name
- 2-chloro-4-methyl-benzene-1,3-diamine
- Molecular formula
- C7H9ClN2
- Molecular weight
- 156.61
Names & synonyms
43216-73-51,3-Benzenediamine, 2-chloro-4-methyl-2-chloro-4-methylbenzene-1,3-diamineDTXSID6073520SCHEMBL286786532-chloro-4-methyl-benzene-1,3-diamine
Database identifiers
- CAS
43216-73-5- PubChem CID
- 94529
- DTXSID
DTXSID6073520- Nikkaji
- J1.618.628G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 284 · 284.0±35.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 2-chloro-4-methyl- (43216-73-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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