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

HCID 17810CAS 2831-66-5

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Grundinformationen

Standard-SMILES: Clc1ncnc(Cl)n1
InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N
Summenformel: C3HCl2N3
Durchschnittliche Molmasse: 149,96 g/mol
Monoisotopische Masse: 148,95475239

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-1,3,5-triazine
IUPAC: 2,4-dichloro-1,3,5-triazine
Englischer Name: 2,4-Dichloro-1,3,5-triazine
Summenformel: C3HCl2N3
Molmasse: 149.97

Namen und Synonyme

2,4-Dichloro-1,3,5-triazine2831-66-5dichloro-s-triazineDTXSID10274598RefChem:443242DTXCID60226067676-236-9MFCD04115347C3HCl2N31,3,5-TRIAZINE, 2,4-DICHLORO-2,6-dichloro-1,3,5-triazine2, 4-dichloro-1, 3, 5-triazine

Weitere Namen anzeigen

oro-1,3,5-triazine2,4-dichlorotriazine2,4-Dichloro-s-triazine1,3,5-Triazine,2,4-dichloro-2,4-Dichloro-1,3,5-triazine>2,4-Dichloro-1,3,5-Triazine pure, 98%

AC-2953PB20114PS-4865CS-0052169EN300-98635Z12016228812,4-dichloro-[1,3,5]triazineBCP22466

Datenbank-Bezeichner

CAS: 2831-66-5
PubChem CID: 17810
DTXSID: DTXSID10274598
EC Number: 676-236-9
Nikkaji: J1.553.128B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 70,9

Physikochemische Eigenschaften

Schmelzpunkt: 54 to · 54.0 to 58.0 °C
Siedepunkt: 102 °C/75mmHg · 102°C/75mmHg(lit.)
Dichte: 1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -1.24 · -1.24±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N
SMILES: N1=CN=C(Cl)N=C1Cl
CAS Datenbank: 2831 · 2831-66-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

hs_code: 2933698090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-1,3,5-triazine is used as an intermediate in organic synthesis and pharmaceutical intermediates, and it is an intermediate in the preparation of bromhexine impurities.