CAS 899897-20-2 5-Bromo-2-methyl-1,3-thiazole-4-carboxylic acid (HCID 45117584)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 899897-20-2
Standard-SMILES: Cc1nc(C(=O)O)c(Br)s1
InChIKey: LACAQBIVCVSXHQ-UHFFFAOYSA-N
Summenformel: C5H4BrNO2S
Durchschnittliche Molmasse: 222,06 g/mol
Monoisotopische Masse: 220,91461

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methyl-1,3-thiazole-4-carboxylic acid
IUPAC: 5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid
Englischer Name: 4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)
Summenformel: C5H4BrNO2S
Molmasse: 222.06

Namen und Synonyme

899897-20-25-bromo-2-methyl-1,3-thiazole-4-carboxylic acidDTXSID60668645RefChem:301702DTXCID60619394815-340-25-bromo-2-methylthiazole-4-carboxylic acidMFCD188211054-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)5-bromo-2-methyl-thiazole-4-carboxylic acidSCHEMBL1970147LACAQBIVCVSXHQ-UHFFFAOYSA-N

Weitere Namen anzeigen

4-Thiazolecarboxylic acid, 5-bromo-2-methyl-

ZKB89720AT26863SY1979055-Bromo-2-methylthiazole-4-carboxylicacidDB-340733CS-0343269EN300-200294F737985

Datenbank-Bezeichner

CAS: 899897-20-2
PubChem CID: 45117584
DTXSID: DTXSID60668645
EC Number: 815-340-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

storage temp.: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C5H4BrNO2S/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChIKey: LACAQBIVCVSXHQ-UHFFFAOYSA-N
SMILES: S1C(Br)=C(C(O)=O)N=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.