2,1,3-Benzothiadiazol-4-ylamin

2,1,3-Benzothiadiazol-4-amine

HCID 69845CAS 767-64-6

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Grundinformationen

Standard-SMILES: Nc1cccc2nsnc12
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
Summenformel: C6H5N3S
Durchschnittliche Molmasse: 151,19 g/mol
Monoisotopische Masse: 151,02041835

Namen und Bezeichner

Bevorzugter Name: 2,1,3-Benzothiadiazol-4-amine
IUPAC: 2,1,3-benzothiadiazol-4-amine
Lokaler Name: 2,1,3-Benzothiadiazol-4-ylamin
Englischer Name: 4-Aminobenzo-2,1,3-thiadiazole
Summenformel: C6H5N3S
Molmasse: 151.19

Namen und Synonyme

2,1,3-Benzothiadiazol-4-amine767-64-64-Aminobenzo-2,1,3-thiadiazole4-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-amino-NSC-73013N93ZR5H5L1DTXSID60227498RefChem:97834DTXCID60149989212-186-2Benzo[c][1,2,5]thiadiazol-4-amine

Weitere Namen anzeigen

AI3-60012NSC 7301322726-33-6BRN 0003551AKOS BC-0685MLS000762975NCI60_041592SMR000438262

4-AminopiazthioleMFCD00005810Benzo[1,2,5]thiadiazol-4-ylamine7-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazol-4-ylamine2,1,3-Benzothiadiazole, 7-amino-NSC730132lambda4,1,3-benzothiadiazol-4-amine

Datenbank-Bezeichner

CAS: 767-64-6
PubChem CID: 69845
DTXSID: DTXSID60227498
ChEMBL: CHEMBL1447590
UNII: N93ZR5H5L1
EC Number: 212-186-2
Nikkaji: J3.665.764B、J41.983D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 80 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-69 °C (lit.)
Siedepunkt: 303 · 303.0±15.0 °C(Predicted)
Dichte: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 0.81 · 0.81±0.10(Predicted)
Farbe: Light yellow to Amber to Dark green
Wasserlöslichkeit: Insoluble in water.
BRN: 3551 · 3551
InChI: InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES: N1=C2C=CC=C(N)C2=NS1
CAS Datenbank: 767 · 767-64-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Amino-2,1,3-benzothiadiazole(767-64-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 CategoriesAcute Tox. 4 (98.6%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2934.99.4400
RTECS-Nr.: DK9950000
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39
hazard_class: IRRITANT
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.