CAS 77628-51-4 6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid (HCID 329979)

Names & identifiers

Preferred name: 6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid
IUPAC: 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
English name: 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID
Molecular formula: C7H6N2O2S
Molecular weight: 182.2

Names & synonyms

6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACIDDTXSID603174046-methylimidazo(2,1-b)(1,3)thiazole-5-carboxylic acidRefChem:543998DTXCID00268527867-238-277628-51-46-methylimidazo[2,1-b]thiazole-5-carboxylic acidMFCD02083132Imidazo[2,1-b]thiazole-5-carboxylic acid, 6-methyl-F3199-00856-Methylimidazo[2,1-b][1,3]-thiazole-5-carboxylic acid

Show more names

NSC 315244NSC 315239BUTTPARK 154\06-61CHEMBRDG-BB 44029966-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic a6-methylimidazo[2,1-b]thiazole-5-carboxylic acid - [M87411]6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid(SALTDATA: FREE)

6-methylimidazo[2,1-b]1,3-thiazoline-5-carboxylic acid6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acidSCHEMBL269695VSQMBZXCDDTZAF-UHFFFAOYSA-NSMSSF-0054333NSC315239SBB083485AKOS000348637

Database identifiers

CAS: 77628-51-4
PubChem CID: 329979
DTXSID: DTXSID60317404
EC Number: 867-238-2
Nikkaji: J1.286.761A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 82.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 164 °C · 164 °C
Density: 1.62 · 1.62±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: -0.66 · -0.66±0.41(Predicted)
form: solid
Appearance: Off-white to light yellow Solid
InChI: 1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
SMILES: O=C(O)C1=C(C)N=C2N1C=CS2
UNSPSC Code: 12352106 · 12352106
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36-43
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

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)

Aggregated GHS information provided per 2 reports by companies from 1 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.