2-Chloro-4,6-di-p-tolyl-1,3,5-triazine

HCID 30851

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Basic information

CAS: 21902-34-1
Standard SMILES: Cc1ccc(-c2nc(Cl)nc(-c3ccc(C)cc3)n2)cc1
InChIKey: LPSLMIOUKRPZDC-UHFFFAOYSA-N
Molecular formula: C17H14ClN3
Average molar mass: 295.8 g/mol
Monoisotopic mass: 295.08762513

Names & identifiers

Preferred name: 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
IUPAC: 2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine
English name: 2-chloro-4,6-di-p-tolyl-1,3,5-triazine
Molecular formula: C17H14ClN3
Molecular weight: 295.77

Names & synonyms

2-Chloro-4,6-di-p-tolyl-1,3,5-triazineRefChem:468782835-815-821902-34-12-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazineMFCD290718412-chloro-4,6-dip-tolyl-1,3,5-triazineSCHEMBL1760381DTXSID40274900AKOS026673989BS-16640SY237603

Show more names

1,3,5-Triazine, 2-chloro-4,6-bis(4-methylphenyl)-

C3514T70577AMY378772-chloro-4,6-bis(4WAA90234SB73683DB-192608CS-0153066

Database identifiers

CAS: 21902-34-1
PubChem CID: 30851
DTXSID: DTXSID40274900
EC Number: 835-815-8
Nikkaji: J1.610.120F

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 292

Physicochemical properties

Melting point: 208 °C · 208 °C
Boiling point: 496.5 · 496.5±48.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: 0.18 · 0.18±0.10(Predicted)
color: White to Almost white
InChI: InChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: LPSLMIOUKRPZDC-UHFFFAOYSA-N
SMILES: N1=C(C2=CC=C(C)C=C2)N=C(C2=CC=C(C)C=C2)N=C1Cl
CAS DataBase Reference: 21902 · 21902-34-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933.69 · 2933.69.6050

Safety & regulation

GHS classification

GHS Classification · 4 items

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: 2933.69.6050
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P