CAS 166196-73-2 2-(1H-pyrazol-3-yl)-1,3-thiazole (HCID 3363559)

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Basic information

CAS: 166196-73-2
Standard SMILES: c1cc(-c2nccs2)[nH]n1
InChIKey: UZOGLHNKDHOSGA-UHFFFAOYSA-N
Molecular formula: C6H5N3S
Average molar mass: 151.19 g/mol
Monoisotopic mass: 151.02041816

Names & identifiers

Preferred name: 2-(1H-pyrazol-3-yl)-1,3-thiazole
IUPAC: 2-(1H-pyrazol-5-yl)-1,3-thiazole
English name: 2-(1H-pyrazol-5-yl)thiazole
Molecular formula: C6H5N3S
Molecular weight: 151.19

Names & synonyms

2-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE166196-73-2DTXSID40391823RefChem:249954DTXCID50342684826-764-22-(1H-Pyrazol-3-yl)thiazole2-(1H-pyrazol-5-yl)thiazole2-(1H-pyrazol-5-yl)-1,3-thiazoleThiazole, 2-(1H-pyrazol-3-yl)-MFCD00105072942223-95-2

Show more names

thiazolylpyrazoleSCHEMBL1288402SCHEMBL1782526SCHEMBL5780180SCHEMBL7086759SCHEMBL94654922-pyrazol-3-yl-1,3-thiazole2-(1H-pyrazol-3-yl)-thiazole

Database identifiers

CAS: 166196-73-2
PubChem CID: 3363559
DTXSID: DTXSID40391823
EC Number: 826-764-2
Nikkaji: J1.070.922I

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 69.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 154 · 154~156℃
Boiling point: 385.7 · 385.7±34.0 °C(Predicted)
Density: 1.387 · 1.387±0.06 g/cm3(Predicted)
pka: 11.18 · 11.18±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934100090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362