2,4-Dichloro-6-phenyl-1,3,5-triazine (HCID 15549)

Names & identifiers

Preferred name: 2,4-Dichloro-6-phenyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-phenyl-1,3,5-triazine
English name: 2,4-Dichloro-6-phenyl-1,3,5-triazine
Molecular formula: C9H5Cl2N3
Molecular weight: 226.06

Names & synonyms

2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-32,4-DICHLORO-6-PHENYL-S-TRIAZINEUNII-N15020UDY0NSC-51871N15020UDY06-phenyl-2,4-dichloro-s-triazineEINECS 216-928-6NSC 51871S-TRIAZINE, 2,4-DICHLORO-6-PHENYL-DTXSID50168780RefChem:82367

Show more names

PTRZ-2Cl4-Dichloro-6-phenyl-1LABOTEST-BB LT000444222-Phenyl-4,6-dichlorotriazine4,6-DICHLORO-2-PHENYL TRIAZINEDichloro-6-phenyl-1,3,5-triazine2,4-Dichloro-6-phenyl1,3,5-tria6-PHENYL-1,3,5-TRIAZINE-2,4-DICHLORO

DTXCID0091271AMEVJOWOWQPPJQ-UHFFFAOYSA-NMFCD000473401,3,5-Triazine, 2,4-dichloro-6-phenyl-2,4-Dichloro-6-phenyl-[1,3,5]triazineNSC518712,4-Dichloro-Phenyl-1,3,5-Triazine1,5-Triazine, 2,4-dichloro-6-phenyl-

Database identifiers

CAS: 1700-02-3
PubChem CID: 15549
DTXSID: DTXSID50168780
UNII: N15020UDY0
EC Number: 216-928-6
Nikkaji: J203.086A

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 119 to · gt. 119.0 to 123.0 °C
Boiling point: 136 °C/1mmHg · 136°C/1mmHg(lit.)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: -1.67 · -1.67±0.10(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYSA-N
SMILES: N1=C(C2=CC=CC=C2)N=C(Cl)N=C1Cl
CAS DataBase Reference: 1700 · 1700-02-3(CAS DataBase Reference)
FDA UNII: 15020 UDY0 · N15020UDY0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (40%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 2 items

Description2,4-Dichloro-6-phenyl-1,3,5-triazine is a heterocyclic derivative and can be used as intermediate of synthetic materials.

Uses2,4-Dichloro-6-phenyl-1,3,5-triazine, is a building block as an OLED intermediate for the synthesis of bipolar host materials such as 2,4,6-tris(4-(N,N-diphenylamino)phenyl)-1,3,5-triazine (TDPA–TRZ) for phosphorescent organic light-emitting diodes (PhOLED). It is also used for the synthesis of blue emitters in TADF devices.