4-Chlorophenyl salicylate
Basic information
- CAS
2944-58-3- Standard SMILES
O=C(Oc1ccc(Cl)cc1)c1ccccc1O- InChIKey
TUYYMOBSJNEIKN-UHFFFAOYSA-N- Molecular formula
- C13H9ClO3
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0240218
Names & identifiers
- Preferred name
- 4-Chlorophenyl salicylate
- IUPAC
- (4-chlorophenyl) 2-hydroxybenzoate
- English name
- 4-chlorophenyl salicylate
- Molecular formula
- C13H9ClO3
- Molecular weight
- 248.66
Names & synonyms
4-Chlorophenyl salicylate2944-58-3BJ598VZN41p-chlorophenyl salicylateEINECS 220-949-6DTXSID20183647PHENOL, P-CHLORO-, SALICYLATEBenzoic acid, 2-hydroxy-, 4-chlorophenyl esterRefChem:522044DTXCID60106138220-949-64-chlorophenyl 2-hydroxybenzoate
Show more names
2-Hydroxybenzoic acid 4-chlorophenyl esteracetic acid [(9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-6,10,13-trimethyl-16-methylene-2,9,11,12,14,15-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
(4-chlorophenyl) 2-hydroxybenzoateUNII-BJ598VZN414-chlorophenyl2-hydroxybenzoateSCHEMBL6659667SCHEMBL31557557TUYYMOBSJNEIKN-UHFFFAOYSA-NSalicylic acid, p-chlorophenyl esterAKOS022183399
Database identifiers
- CAS
2944-58-3- PubChem CID
- 76270
- DTXSID
DTXSID20183647- UNII
- BJ598VZN41
- EC Number
- 220-949-6
- Nikkaji
- J306.873K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 62 · 62-64 °C(Solv: ethanol (64-17-5))
- Boiling point
- 353.9 · 353.9±22.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 7.75 · 7.75±0.30(Predicted)
- FDA UNII
- 598 VZN41 · BJ598VZN41
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H400
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H400
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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