2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
Basic information
- CAS
875160-27-3- Standard SMILES
Cc1ccc(OCc2nc(CC(=O)O)cs2)cc1- InChIKey
VVYWQVAACSCOOZ-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- 2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
- IUPAC
- 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
- English name
- 2-[2-(4-methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C13H13NO3S
- Molecular weight
- 263.31
Names & synonyms
875160-27-32-[2-(4-methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetic Acid{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetic acid2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetic acid(2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl)acetic acidMFCD06858052HMS1738P11AKB16027AKOS001204582CS-0241762EN300-23758
Show more names
4-Thiazoleacetic acid, 2-[(4-methylphenoxy)methyl]-
G318302-[2-[(4-methylphenoxy)methyl]thiazol-4-yl]acetic acidZ1647072802-[2-(4-methylphenoxymethyl)-1,3-thiazol-4-yl]aceticacid
Database identifiers
- CAS
875160-27-3- PubChem CID
- 4980640
- EC Number
- 129-963-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 455.4 · 455.4±35.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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