4-Thiazoleacetic acid, 2-(2-pyridyl)-
Basic information
- CAS
34272-68-9- Standard SMILES
O=C(O)Cc1csc(-c2ccccn2)n1- InChIKey
GVNODPPFELQGRH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.03064868
Names & identifiers
- Preferred name
- 4-Thiazoleacetic acid, 2-(2-pyridyl)-
- IUPAC
- 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetic acid
- English name
- (2-PYRIDIN-2-YL-1,3-THIAZOL-4-YL)ACETIC ACID
- Molecular formula
- C10H8N2O2S
- Molecular weight
- 220.25
Names & synonyms
34272-68-92-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]acetic acid4-Thiazoleacetic acid, 2-(2-pyridyl)-2-(2-Pyridyl)-4-thiazolacetic acidDTXSID001878402-(2-(pyridin-2-yl)-1,3-thiazol-4-yl)acetic acidRefChem:526958DTXCID60110331874-019-52-(2-(pyridin-2-yl)thiazol-4-yl)acetic acid(2-Pyridin-2-yl-thiazol-4-yl)-acetic acid2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetic acid
Show more names
RMA-4139OTAVA-BB BB7020310227ASINEX-REAG BAS 101574002-Pyridin-2-yl-4-thiazoleacetic acid2-(2-Pyridinyl)-4-thiazoleacetic acid4-Thiazoleacetic acid, 2-(2-pyridinyl)-
MFCD01681558(2-pyridin-2-yl-1,3-thiazol-4-yl)acetic acid[2-(pyridin-2-yl)-1,3-thiazol-4-yl]acetic acid2-(2-(2-pyridyl)-1,3-thiazol-4-yl)acetic acidSCHEMBL19327449TIMTEC-BB SBB011439HMS5215A16JBA27268
Database identifiers
- CAS
34272-68-9- PubChem CID
- 214802
- DTXSID
DTXSID00187840- EC Number
- 874-019-5
- Nikkaji
- J59.595K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 456.1 · 456.1±48.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.8 · 3.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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