2-(2-Chlorophenoxy)-2-methylpropanoic acid
Basic information
- CAS
17413-79-5- Standard SMILES
CC(C)(Oc1ccccc1Cl)C(=O)O- InChIKey
ZEQSWIRBIUYYFA-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3
- Average molar mass
- 214.64 g/mol
- Monoisotopic mass
- 214.0396719
Names & identifiers
- Preferred name
- 2-(2-Chlorophenoxy)-2-methylpropanoic acid
- IUPAC
- 2-(2-chlorophenoxy)-2-methylpropanoic acid
- English name
- 2-(2-Chlorophenoxy)-2-methylpropionicacid
- Molecular formula
- C10H11ClO3
- Molecular weight
- 214.65
Names & synonyms
2-(2-Chlorophenoxy)-2-methylpropanoic acidRefChem:453634634-003-917413-79-5o-Chlorophenoxyisobutyric acidPropanoic acid, 2-(2-chlorophenoxy)-2-methyl-2-(o-Chlorophenoxy)-2-methylpropionic acidMFCD00056708Acide (o-chlorophenoxy)-2 methyl-2 propionique [French]Acide (o-chlorophenoxy)-2 methyl-2 propioniquePropionic acid, 2-(o-chlorophenoxy)-2-methyl-2-(2-CHLOROPHENOXY)-2-METHYLPROPIONICACID
Show more names
Propanoic acid, 2-(2-chlorophenoxy)-2-methyl- (9CI)2-(2-Chlorophenoxy)-2-methyl-PropanoicacidBRN 18753012-(2-Chlorophenoxy)-2-methyl-propanoic acidPropanoic acid,2-(2-chlorophenoxy)-2-methyl-TimTec1_0016004-06-00-00797 (Beilstein Handbook Reference)CHEMBL43618
Database identifiers
- CAS
17413-79-5- PubChem CID
- 205111
- DTXSID
DTXSID20169769- ChEMBL
CHEMBL43618- EC Number
- 634-003-9
- Nikkaji
- J1.050.960B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 321.6 · 321.6±17.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications 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
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Compound notes
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