6-Bromo-1,3-benzothiazole

HCID 2795171

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Grundinformationen

CAS: 53218-26-1
Standard-SMILES: Brc1ccc2ncsc2c1
InChIKey: YJOUISWKEOXIMC-UHFFFAOYSA-N
Summenformel: C7H4BrNS
Durchschnittliche Molmasse: 214,08 g/mol
Monoisotopische Masse: 212,92478

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-1,3-benzothiazole
IUPAC: 6-bromo-1,3-benzothiazole
Englischer Name: 6-Bromobenzothiazole
Summenformel: C7H4BrNS
Molmasse: 214.08

Namen und Synonyme

6-bromo-1,3-benzothiazoleRefChem:540524688-067-86-Bromobenzothiazole53218-26-16-bromobenzo[d]thiazole6-Bromo-benzothiazoleMFCD04115372SCHEMBL10543Benzothiazole, 6-bromo-DTXSID60383563CS-W003182

Weitere Namen anzeigen

6-Bromobenzthiazol6-Bromobenzothiazole,97%Benzothiazole, 6-bromo- (9CI)6-Bromo-1,3-benzothiazole 97%6-Bromo-1,3-benzothiazole ,97%

AB19945FS-2687BP-10781SY019446EN300-3143776-BROMO-BENZO[D]THIAZOLE6-bromanyl-1,3-benzothiazoleA7742

Datenbank-Bezeichner

CAS: 53218-26-1
PubChem CID: 2795171
DTXSID: DTXSID60383563
ChEMBL: CHEMBL5277617
EC Number: 688-067-8
Nikkaji: J2.502.701I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-54℃
Siedepunkt: 143 °C · 143 °C(Press: 12 Torr)
Dichte: 1.748 · 1.748±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 0.21 · 0.21±0.10(Predicted)
Farbe: Off-white to yellow
CAS Datenbank: 53218 · 53218-26-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 6 reports by companies from 3 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%)

Sicherheitsdaten

ridadr: 2811
hs_code: 29339900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39

Chemie und Industrie

Anwendungen

Verwenden6-Bromobenzothiazole is a benzothiazole analogue. It can be used as a pharmaceutical intermediate or a raw material for the preparation of other aza-aromatic compounds.