Basic information
- CAS
27052-27-3- Standard SMILES
O=C(Oc1ccccc1)c1cc(Sc2ccc(Cl)cc2)c2ccccc2c1O- InChIKey
WHUYXGYBBDXGJC-UHFFFAOYSA-N- Molecular formula
- C23H15ClO3S
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.0430432
Names & identifiers
- Preferred name
- Phenyl 4-(4-chlorophenylthio)-1-hydroxy-2-naphthoate
- IUPAC
- phenyl 4-(4-chlorophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxylate
- English name
- Phenyl 4-(4-chlorophenylthio)-1-hydroxy-2-naphthoate
- Molecular formula
- C23H15ClO3S
- Molecular weight
- 406.88
Names & synonyms
27052-27-3RefChem:861562phenyl 4-(4-chlorophenylthio)-1-hydroxy-2-naphthoate667-282-0Phenyl 4-((4-chlorophenyl)thio)-1-hydroxy-2-naphthoatephenyl 4-[(4-chlorophenyl)sulfanyl]-1-hydroxynaphthalene-2-carboxylatephenyl 4-[(4-chlorophenyl)thio]-1-hydroxy-2-naphthoateAKOS0244310082-Naphthalenecarboxylic acid, 4-[(4-chlorophenyl)thio]-1-hydroxy-, phenyl ester
Database identifiers
- CAS
27052-27-3- PubChem CID
- 5068340
- EC Number
- 667-282-0
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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