4-Chloro-6-phenyl-1,3,5-triazin-2-amine
Basic information
- CAS
3842-53-3- Standard SMILES
Nc1nc(Cl)nc(-c2ccccc2)n1- InChIKey
UTSOANOTPZSYJK-UHFFFAOYSA-N- Molecular formula
- C9H7ClN4
- Average molar mass
- 206.63 g/mol
- Monoisotopic mass
- 206.0359239
Names & identifiers
- Preferred name
- 4-Chloro-6-phenyl-1,3,5-triazin-2-amine
- IUPAC
- 4-chloro-6-phenyl-1,3,5-triazin-2-amine
- English name
- 4-Chloro-6-phenyl-1,3,5-triazin-2-amine
- Molecular formula
- C9H7ClN4
- Molecular weight
- 206.63
Names & synonyms
4-chloro-6-phenyl-1,3,5-triazin-2-amine3842-53-3DTXSID40274642RefChem:291903DTXCID002261072-Amino-4-chloro-6-phenyl-1,3,5-triazineMFCD03819819SCHEMBL2250601SCHEMBL30205277AKOS015942805SB73394BS-41881
Show more names
1,3,5-Triazin-2-amine, 4-chloro-6-phenyl-2-Amino-4-Chloro-6-Phenyl-1,3,5-Triazine(WXC01052)
CS-0035495W11898F5301422-Amino-4-chloro-6-phenyl-1,3,5-triazine, 95%
Database identifiers
- CAS
3842-53-3- PubChem CID
- 19697
- DTXSID
DTXSID40274642- EC Number
- 803-715-3
- Nikkaji
- J1.517.018B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 212 · 212-216°C
- Boiling point
- 460 · 460.0±28.0 °C(Predicted)
- Density
- 1.39 · 1.390±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 2.6 · 2.60±0.10(Predicted)
- InChI
- 1S/C9H7ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14)
- InChIKey
- UTSOANOTPZSYJK-UHFFFAOYSA-N
- SMILES
- Nc1nc(Cl)nc(n1)-c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
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 39 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
- wgk
- 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…