2,5-Diamino-4-chlorotoluene
Basic information
- CAS
5307-03-9- Standard SMILES
Cc1cc(N)c(Cl)cc1N- InChIKey
CPCPKQUNFFHAIZ-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.045426
Names & identifiers
- Preferred name
- 2,5-Diamino-4-chlorotoluene
- IUPAC
- 2-chloro-5-methylbenzene-1,4-diamine
- English name
- 2-Chloro-5-methyl-1,4-phenylenediamine
- Molecular formula
- C7H9ClN2
- Molecular weight
- 156.61
Names & synonyms
5307-03-92,5-Diamino-4-chlorotoluene2-Chloro-5-methyl-1,4-benzenediamineDTXSID50201146EINECS 226-162-4RefChem:444207DTXCID50123637226-162-42-chloro-5-methylbenzene-1,4-diamine2-Chloro-5-methyl-1,4-phenylenediamine2-CHLORO-5-METHYL-P-PHENYLENEDIAMINEMFCD00190684
Show more names
2.5-Diamino-4-Chloro-Toluol4-CHLORO-2,5-DIAMINO TOLUENE5-CHLORO-2-METHYL-1,4-BENZENEDIAMINE2-Choro-5-methyl-1,4-phenylenediamine
1,4-Benzenediamine, 2-chloro-5-methyl-5-Chloro-2-methyl-1,4-phenylenediamineAF4G7SV2Y3SCHEMBL2026149SCHEMBL29683620Toluene-2,5-diamine, 4-chloro-AKOS0158499791,4-Diamino-2-methyl-5-chlorobenzene
Database identifiers
- CAS
5307-03-9- PubChem CID
- 79193
- DTXSID
DTXSID50201146- UNII
- AF4G7SV2Y3
- EC Number
- 226-162-4
- Nikkaji
- J76.413B
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
- Melting point
- 147 °C · 147°C
- Boiling point
- 257.77 °C · 257.77°C (rough estimate)
- Density
- 1.1845 · 1.1845 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 4.65 · 4.65±0.10(Predicted)
- color
- Light yellow to Brown
- CAS DataBase Reference
- 5307 · 5307-03-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29214400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Chloro-5-methyl-1,4-phenylenediamine is an amine derivative and can be used as an organic intermediate.
Suppliers
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Related reactions
4 records
Compound notes
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