Chlorazanil
Basic information
- CAS
500-42-5- Standard SMILES
Nc1ncnc(Nc2ccc(Cl)cc2)n1- InChIKey
YRZQHIVOIFJEEE-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.046823
Overview
Chlorazanil is a diamino-1,3,5-triazine.
Names & identifiers
- Preferred name
- Chlorazanil
- IUPAC
- 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- L-Mimosine (leucenol)
- Molecular formula
- C9H8ClN5
- Molecular weight
- 221.65
Names & synonyms
Chlorazanil500-42-5N-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamineTriazurolChlorazanilumDTXSID0049026SKF 3195clorazanilo1,3,5-Triazine-2,4-diamine, N-(4-chlorophenyl)-2-AMINO-4-(P-CHLOROANILINO)-S-TRIAZINESC 558648SN4K3W0E
Show more names
DaquinASA 226SKF-3195Riker 545neo-Urofort
DTXCID5028952RefChem:125291207-904-6ChloroazinalDiurazineChlorazinilNeurofortOrpizin
Database identifiers
- CAS
500-42-5- PubChem CID
- 10374
- DTXSID
DTXSID0049026- ChEMBL
CHEMBL1984344- ChEBI
CHEBI:134911- UNII
- 48SN4K3W0E
- EC Number
- 207-904-6
- Nikkaji
- J9.395E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 233 · 233-234°; mp 256-258° (Shah et al., loc. cit.)
- Boiling point
- 457.2 · 457.2±47.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 3.51 · 3.51±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 48 SN4K3W0E · 48SN4K3W0E
- EPA Substance Registry System
- 4 · N-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine (500-42-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesN-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine is a diuretic agent.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Chlorazanil is a diamino-1,3,5-triazine.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…