(2-Chloro-5-methylphenyl)acetic acid
Basic information
- CAS
81682-39-5- Standard SMILES
Cc1ccc(Cl)c(CC(=O)O)c1- InChIKey
JRLYJSVLGHEJDI-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- (2-Chloro-5-methylphenyl)acetic acid
- IUPAC
- 2-(2-chloro-5-methylphenyl)acetic acid
- English name
- (2-Chloro-5-methylphenyl)acetic acid
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
(2-chloro-5-methylphenyl)acetic acid81682-39-52-(2-chloro-5-methylphenyl)acetic acidBenzeneacetic acid, 2-chloro-5-methyl-2-chloro-5-methylphenylacetic acid(2-chloro-5-methyl-phenyl)-acetic acid2-(2-chloro-5-methyl-phenyl)acetic AcidSCHEMBL5236792GDA68239(2-chloro-5-methylphenyl)aceticacidMFCD02664809STK891555
Show more names
2-Chloro-5-methylbenzeneacetic acid
AKOS001476556BS-32832DB-327643CS-0207477D96279EN300-1139072
Database identifiers
- CAS
81682-39-5- PubChem CID
- 4237709
- EC Number
- 181-359-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 310.5 · 310.5±27.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±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
- Xn
- Risk Statements
- 22 · 22-41
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
- 22-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- 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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