Basic information
- CAS
5459-85-8- Standard SMILES
Cc1ccc(N)cc1N.Cl- InChIKey
IHJBOVQRFCCUJJ-UHFFFAOYSA-N- Molecular formula
- C7H11ClN2
- Average molar mass
- 158.63 g/mol
- Monoisotopic mass
- 158.0610761
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4-methyl-, hydrochloride (1:1)
- IUPAC
- 4-methylbenzene-1,3-diamine;hydrochloride
- English name
- 1,3-Benzenediamine,4-methyl-,monohydrochloride
- Molecular formula
- C7H11ClN2
- Molecular weight
- 158.62864
Names & synonyms
5459-85-82,4-Diaminotoluene hydrochloride1,3-Benzenediamine, 4-methyl-, monohydrochlorideToluene-2,4-diamine, monohydrochloride1,3-Benzenediamine, 4-methyl-, hydrochloride (1:1)NSC 1494DTXSID3063912RefChem:72424DTXCID2041753Toluene-2,4-diamine, monohydrochloride (8CI)CH3Q7R58KHNSC-1494
Show more names
1,3-Benzenediamine,4-methyl-,monohydrochloride
2,4-TOLUENEDIAMINE MONOHYDROCHLORIDEUNII-CH3Q7R58KHToluene-2, monohydrochlorideSCHEMBL71324031, 4-methyl-, monohydrochlorideNSC1494IHJBOVQRFCCUJJ-UHFFFAOYSA-N2,4-Diamino toluene hydrochloride
Database identifiers
- CAS
5459-85-8- PubChem CID
- 79575
- DTXSID
DTXSID3063912- UNII
- CH3Q7R58KH
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- FDA UNII
- 3 Q7R58KH · CH3Q7R58KH
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 4-methyl-, monohydrochloride (5459-85-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, 4-methyl-, hydrochloride (1:1): INACTIVE
Suppliers1 total
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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