4-Bromo-2-methyl-1,3-thiazole

HCID 2763186

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Grundinformationen

CAS: 298694-30-1
Standard-SMILES: Cc1nc(Br)cs1
InChIKey: LYRXILTUZBBMNS-UHFFFAOYSA-N
Summenformel: C4H4BrNS
Durchschnittliche Molmasse: 178,05 g/mol
Monoisotopische Masse: 176,92478

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-methyl-1,3-thiazole
IUPAC: 4-bromo-2-methyl-1,3-thiazole
Englischer Name: 4-Bromo-2-methylthiazole
Summenformel: C4H4BrNS
Molmasse: 178.05

Namen und Synonyme

4-bromo-2-methyl-1,3-thiazoleRefChem:519749685-581-44-Bromo-2-methylthiazole298694-30-1MFCD064099454-bromo-2-methyl-thiazole2-methyl-4-bromo-thiazoleSCHEMBL103196DTXSID40376796AKOS006344216PS-6069

Weitere Namen anzeigen

2-Methyl-4-bromothiazole4-Bromo-2-methylthiazole 98%4-Bromo-2-(methyl-d3)-thiazole

SY019472CS-0044498EN300-130703Thiazole, 4-bromo-2-methyl-AMY34939SCHEMBL26617152SCHEMBL282090034-bromo-2-methylthiazole, AldrichCPR

Datenbank-Bezeichner

CAS: 298694-30-1
PubChem CID: 2763186
DTXSID: DTXSID40376796
EC Number: 685-581-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 68

Physikochemische Eigenschaften

Siedepunkt: 199.2 · 199.2±13.0 °C(Predicted)
Dichte: 1.702 · 1.702±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.66 · 0.66±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.