3-(3-Chlorophenyl)-2-methylpropanoic acid
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Basic information
- CAS
66735-00-0- Standard SMILES
CC(Cc1cccc(Cl)c1)C(=O)O- InChIKey
KSPGRSKQMCBYNX-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-2-methylpropanoic acid
- IUPAC
- 3-(3-chlorophenyl)-2-methylpropanoic acid
- English name
- 3-(3-CHLORO-PHENYL)-2-METHYL-PROPIONIC ACID
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
3-(3-chlorophenyl)-2-methylpropanoic acid66735-00-0RefChem:491912898-811-53-(3-Chloro-phenyl)-2-methyl-propionic acidBenzenepropanoic acid, 3-chloro-a-methyl-3-Chloro-alpha-methylbenzenepropanoic acidSCHEMBL31324842RCA73500MFCD08445716AKOS000345404AKOS016050913
Show more names
3-Chloro-α-methylbenzenepropanoic acidBenzenepropanoic acid, 3-chloro-α-methyl-
Benzenepropanoicacid,3-chloro-a-methyl-3-(3-chlorophenyl)-2-methyl-propanoic acidCS-0224269EN300-118552H56678F646401Z513660282
Database identifiers
- CAS
66735-00-0- PubChem CID
- 20110063
- EC Number
- 898-811-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 312.3 · 312.3±17.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- 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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