2-Butyl-4-thiazolecarboxylic acid

HCID 14050076CAS 62657-88-9

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Grundinformationen

Standard-SMILES: CCCCc1nc(C(=O)O)cs1
InChIKey: HRCOEVSFYVJQMT-UHFFFAOYSA-N
Summenformel: C8H11NO2S
Durchschnittliche Molmasse: 185,25 g/mol
Monoisotopische Masse: 185,05104977

Namen und Bezeichner

Bevorzugter Name: 2-Butyl-4-thiazolecarboxylic acid
IUPAC: 2-butyl-1,3-thiazole-4-carboxylic acid

Namen und Synonyme

62657-88-92-BUTYL-1,3-THIAZOLE-4-CARBOXYLIC ACID2-Butyl-4-thiazolecarboxylic acidDTXSID301299950RefChem:468116DTXCID201730078856-307-22-Butylthiazole-4-carboxylic acid4-Thiazolecarboxylic acid, 2-butyl-starbld0042488SCHEMBL12460082-Butylthiazole-4-carboxylicacid

Weitere Namen anzeigen

HRCOEVSFYVJQMT-UHFFFAOYSA-NMCA65788MFCD14539674AKOS017515056F88536EN300-1703041F980760Z1255417351

Datenbank-Bezeichner

CAS: 62657-88-9
PubChem CID: 14050076
DTXSID: DTXSID301299950
EC Number: 856-307-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

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.