5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole

HCID 13103100

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Grundinformationen

CAS: 84804-69-3
Standard-SMILES: Cc1nc(CCl)n(C)n1
InChIKey: PDVSHBCOEGYRQB-UHFFFAOYSA-N
Summenformel: C5H8ClN3
Durchschnittliche Molmasse: 145,59 g/mol
Monoisotopische Masse: 145,040675

Namen und Bezeichner

Bevorzugter Name: 5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
IUPAC: 5-(chloromethyl)-1,3-dimethyl-1,2,4-triazole
Englischer Name: 5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole
Summenformel: C5H8ClN3
Molmasse: 145.59

Namen und Synonyme

5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE84804-69-3DTXSID80518234RefChem:300315DTXCID30469040891-612-45-(chloromethyl)-1,3-dimethyl-1,2,4-triazoleMFCD13806380SCHEMBL3988225TQP0652PDVSHBCOEGYRQB-UHFFFAOYSA-NJDA80469

Weitere Namen anzeigen

5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole1H-1,2,4-Triazole, 5-(chloromethyl)-1,3-dimethyl-

AKOS016003308AT12165BS-36106SY455658DB-014533EN300-41582F2248795-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole, AldrichCPR

Datenbank-Bezeichner

CAS: 84804-69-3
PubChem CID: 13103100
DTXSID: DTXSID80518234
EC Number: 891-612-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 30,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 98

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C
Aggregatzustand: solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.