3,4-Dichlor-1,2,5-thiadiazol

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

HCID 79804CAS 5728-20-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Clc1nsnc1Cl
InChIKey: YNZQOVYRCBAMEU-UHFFFAOYSA-N
Summenformel: C2Cl2N2S
Durchschnittliche Molmasse: 155,01 g/mol
Monoisotopische Masse: 153,9159246

Namen und Bezeichner

Bevorzugter Name: 3,4-Dichloro-1,2,5-thiadiazole
IUPAC: 3,4-dichloro-1,2,5-thiadiazole
Lokaler Name: 3,4-Dichlor-1,2,5-thiadiazol
Englischer Name: 3,4-Dichloro-1,2,5-thiadiazole
Summenformel: C2Cl2N2S
Molmasse: 155.01

Namen und Synonyme

3,4-Dichloro-1,2,5-thiadiazole5728-20-11,2,5-Thiadiazole, 3,4-dichloro-EINECS 227-232-7DTXSID00205896AI3-61900RefChem:91012DTXCID30128387227-232-7JTIHIPQIYDEUNY-UHFFFAOYSA-NMFCD000100723,4-dichloro-[1,2,5]thiadiazole

Weitere Namen anzeigen

DCTDBB_SC-3458ZINC04529131258903_ALDRICH4ETHYL4AMINOBIPHENYL4'-Ethyl-4-biphenylamine3,4-Dichlor-1,2,5-thiadiazol,4-Dichloro-1,2,5-thiadiazole

SCHEMBL1679672AKOS005186885AS-13223CS-0071809D3547EN300-18669F14865F0001-1496

Datenbank-Bezeichner

CAS: 5728-20-1
PubChem CID: 79804
DTXSID: DTXSID00205896
UNII: PE8RVW5SWM
EC Number: 227-232-7
Nikkaji: J225.119A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 54 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 62

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-83 °C
Siedepunkt: 158 °C · 158 °C (lit.)
Dichte: 1.648 g/mL · 1.648 g/mL at 25 °C (lit.)
Brechungsindex: 1.561 · 1.561
Flammpunkt: 100 °C · >100°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform and methanol.
pka: -3.82 · -3.82±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Colorless
BRN: 606585 · 606585
InChI: InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
InChIKey: YNZQOVYRCBAMEU-UHFFFAOYSA-N
SMILES: S1N=C(Cl)C(Cl)=N1
CAS Datenbank: 5728 · 5728-20-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 10% (6 of 60) of reports.

Danger

H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (81.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (11.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 6 of 60 reports by companies.；There are 10 notifications provided by 54 of 60 reports by companies with hazard statement code(s).；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.