2,4-Dichlor-6-methoxy-1,3,5-triazin

2,4-Dichloro-6-methoxy-3,5-triazine

HCID 19267CAS 3638-04-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1nc(Cl)nc(Cl)n1
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
Summenformel: C4H3Cl2N3O
Durchschnittliche Molmasse: 179,99 g/mol
Monoisotopische Masse: 178,9653171

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-6-methoxy-3,5-triazine
IUPAC: 2,4-dichloro-6-methoxy-1,3,5-triazine
Lokaler Name: 2,4-Dichlor-6-methoxy-1,3,5-triazin
Englischer Name: 2,4-Dichloro-6-methoxy-1,3,5-triazine
Summenformel: C4H3Cl2N3O
Molmasse: 179.99

Namen und Synonyme

2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-81,3,5-Triazine, 2,4-dichloro-6-methoxy-2,4-Dichloro-6-methoxy-3,5-triazineWG2YE7S694NSC-50574DTXSID60189906EINECS 222-863-4NSC 50574RefChem:82353DTXCID80112397MFCD00128159

Weitere Namen anzeigen

DCMTMETHOXYDICHLOROTRIAZINEDichloromethoxytriazineoro-6-methoxy-1,3,5-triazine4,6-Dichloro-2-methoxy-s-triazine2,4-DICHLORO-6-METHOXY-1,3,5-TRIAZINE, 9 5+%

C4H3Cl2N3O24-Dichloro-6-methoxy-135-triazine2-methoxy-4,6-dichloro-s-triazineNSC505742,6-dichloro-4-methoxy-1,3,5-triazine2-methoxy-4,6-dichloro-1,3,5-triazine2,4-DICHLORO-6-METHOXY-S-TRIAZINEUNII-WG2YE7S694

Datenbank-Bezeichner

CAS: 3638-04-8
PubChem CID: 19267
DTXSID: DTXSID60189906
UNII: WG2YE7S694
EC Number: 222-863-4
Nikkaji: J33.219D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 47,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-88 °C (lit.)
Siedepunkt: 132 · 132-134 °C/49 mmHg (lit.)
Dichte: 1.538 · 1.538±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.4 · -1.40±0.10(Predicted)
InChI: 1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
SMILES: COc1nc(Cl)nc(Cl)n1
CAS Datenbank: 3638 · 3638-04-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 42 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 2933698090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4-Dichloro-6-methoxy-1,3,5-triazine was used as reagent in radioimmunoassay for D-Ala2-Dermorphin, a natural peptide extracted from amphibian skin. It was also used in the preparation of:α-cyclodextrin [2]-rotaxanessubstituted s-triazinesseries of chiral derivatizing reagents