2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
Basic information
- CAS
32701-75-0- Standard SMILES
Cc1n[nH]c(C)c1CC(=O)O- InChIKey
HHILOQLQBYEUTP-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
- IUPAC
- 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
- English name
- (3,5-Dimethyl-1H-pyrazol-4-yl)acetic acid
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acidRefChem:454755833-650-632701-75-0(3,5-Dimethyl-1H-pyrazol-4-yl)acetic acid(3,5-Dimethyl-1H-pyrazol-4-yl)-acetic acidMFCD05677521F1727-02662-(3,5-dimethylpyrazol-4-yl)acetic acidSCHEMBL2830618DTXSID60366710HMS1697E13
Show more names
3,5-Dimethyl-1H-pyrazol-4-acetic acid3,5-Dimethyl-1H-pyrazole-4-acetic Acid1H-Pyrazole-4-aceticacid, 3,5-diMethyl-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid(SALTDATA: FREE)
SMSSF-0532662ALBB-004461SBB010344STK501287AKOS000264090SDCCGMLS-0065644.P001(3,5-dimethyl-4-pyrazolyl)acetic acidBS-13380
Database identifiers
- CAS
32701-75-0- PubChem CID
- 2146178
- DTXSID
DTXSID60366710- EC Number
- 833-650-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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