3-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
Basic information
- CAS
925607-95-0- Standard SMILES
CC(Cn1cc(Br)cn1)C(=O)O- InChIKey
BDLOXYQKJPRPLS-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O2
- Average molar mass
- 233.06 g/mol
- Monoisotopic mass
- 231.98474
Names & identifiers
- Preferred name
- 3-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
- IUPAC
- 3-(4-bromopyrazol-1-yl)-2-methylpropanoic acid
- English name
- 3-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid
- Molecular formula
- C7H9BrN2O2
- Molecular weight
- 233.06
Names & synonyms
3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid925607-95-0DTXSID50586329RefChem:274370DTXCID105370943-(4-bromopyrazol-1-yl)-2-methylpropanoic acidMFCD049672083-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid3-(4-bromopyrazolyl)-2-methylpropanoic acid3-(4-Bromopyrazol-1-yl)-2-methyl-propanoic acidSCHEMBL27696475ALBB-003668
Show more names
AKOS B015942AKOS PAO-1033ART-CHEM-BB B0159423-(4-broMo-1H-pyrazol-1-yl)-2-Methyl propionic acid
BBL038854SBB021179STK312641AKOS000305991LS-01292DB-079344CS-0262755ST45091740
Database identifiers
- CAS
925607-95-0- PubChem CID
- 16640639
- DTXSID
DTXSID50586329- EC Number
- 675-270-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi,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
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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