6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
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Basic information
- CAS
4514-53-8- Standard SMILES
Nc1nc(N)nc(-c2ccc(Cl)cc2)n1- InChIKey
ZHMAVICRSKFCFD-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.046823
Overview
See also: 2,4-Diamino-6-(4-chlorphenyl)-1,3,5-triazine (annotation moved to).
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- 6-(4-CHLOROPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
- Molecular formula
- C9H8ClN5
- Molecular weight
- 221.65
Names & synonyms
6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamineDTXSID30274676RefChem:1073698DTXCID702261394514-53-82,4-Diamino-6-(4-chlorophenyl)-1,3,5-triazine4'-chlorobenzoguanamineMFCD00124382NSC211975Maybridge1_005965MLS000532353SCHEMBL672681
Show more names
2,4-DIAMINO-6-(4-CHLOROPHENYL)-1,3,5-TR&6-(4-Chlorophenyl)-2,4-diamino-1,3,5-triazine6-(4-Chlorophenyl)-2,4-diamino-1,3,5-triazine97%6-(4-Chlorophenyl)-2,4-diamino-1,3,5-triazine 97%JR-6723, 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine, 97%
1,3,5-Triazine-2,4-diamine, 6-(4-chlorophenyl)-CHEMBL139250HMS558H03TIMTEC-BB SBB003345HMS2492E16SBB003345STK750924AKOS000735130
Database identifiers
- CAS
4514-53-8- PubChem CID
- 20612
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LogP2.12
Physicochemical properties
- Melting point
- 248 · 248-252 °C(lit.)
- Boiling point
- 513.5 · 513.5±52.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 4.06 · 4.06±0.10(Predicted)
- CAS DataBase Reference
- 4514 · 4514-53-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
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
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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