2,4-Dichloro-6-methyl-1,3,5-triazine

HCID 16083

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1973-04-2
Standard SMILES: Cc1nc(Cl)nc(Cl)n1
InChIKey: BFUGAHPTVMZLAC-UHFFFAOYSA-N
Molecular formula: C4H3Cl2N3
Average molar mass: 163.99 g/mol
Monoisotopic mass: 162.9704025

Names & identifiers

Preferred name: 2,4-Dichloro-6-methyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-methyl-1,3,5-triazine
English name: 2,4-Dichloro-6-methyl-1,3,5-triazine
Molecular formula: C4H3Cl2N3
Molecular weight: 163.99

Names & synonyms

2,4-dichloro-6-methyl-1,3,5-triazine1973-04-21,3,5-Triazine, 2,4-dichloro-6-methyl-DTXSID40274566RefChem:82357DTXCID70226038803-390-8BFUGAHPTVMZLAC-UHFFFAOYSA-NMFCD152036222,4-Dichloro-6-methyltriazineSCHEMBL94294AKOS006333573

Show more names

1,3,5-Triazine,2,4-dichloro-6-methyl-2,4-Dichloro-6-methyl-1,3,5-triazine1

SB734442,4-dichloro6-methyl-1,3,5-triazineBS-13160CS-0112249EN300-152890A9044252,4-Dichloro-6-methyl-1,3,5-tSY084711

Database identifiers

CAS: 1973-04-2
PubChem CID: 16083
DTXSID: DTXSID40274566
EC Number: 803-390-8
Nikkaji: J1.517.019K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 89

Physicochemical properties

Melting point: 97 · 97-98 °C
Boiling point: 80 · 80-82 °C(Press: 12 Torr)
Density: 1.5 · 1.500±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: -0.71 · -0.71±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 5 · GHS05, GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H317
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: T+,C
Risk Statements: 14 · 14-22-26-34-43
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 2923 · UN 2923 6.1(8) / PGII
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933698090 · 2933698090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H330 (92.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 2 (92.9%)

Safety data

wgk: 3
ridadr: UN 2923 6.1(8) / PGII
hs_code: 2933698090
risk_code: 14-22-26-34-43
Signal word: Danger
Symbol(GHS): GHS05, GHS07
hazard_code: T+,C
safety_code: 26-28-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H302-H314-H317
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses2,4-Dichloro-6-methyltriazine is a reagent used to prepare triazinyl-amines as inhibitors of HIV-1 reverse transcriptase. It is also used in the synthesis of anilinotriazine corticotropin releasing hormone antagonists.