1,3-Benzenediamine, 4-chloro-6-methyl-
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Basic information
- CAS
43216-72-4- Standard SMILES
Cc1cc(Cl)c(N)cc1N- InChIKey
MYFJHUCULJNTOF-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.045426
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4-chloro-6-methyl-
- IUPAC
- 4-chloro-6-methylbenzene-1,3-diamine
- English name
- 5-Chloro-2,4-toluenediamine
- Molecular formula
- C7H9ClN2
- Molecular weight
- 156.61
Names & synonyms
43216-72-41,3-Benzenediamine, 4-chloro-6-methyl-DTXSID7073519RefChem:217711DTXCID10402474-chloro-6-methylbenzene-1,3-diamine5-Chloro-2,4-toluenediamine4-Chloro-6-methyl-1,3-benzenediamineSCHEMBL434710SCHEMBL28585984DB-195647
Database identifiers
- CAS
43216-72-4- PubChem CID
- 93244
- DTXSID
DTXSID7073519- EC Number
- 141-162-3
- Nikkaji
- J89.507E
Properties
Computed structural propertiesFilling in
- 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
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 4-chloro-6-methyl- (43216-72-4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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