CAS 7385-85-5 2-Naphthyl p-Toluenesulfonate (HCID 221859)

Substructure search Find similar structures

Basic information

CAS: 7385-85-5
Standard SMILES: Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1
InChIKey: CWCMQKWNHUXBFQ-UHFFFAOYSA-N
Molecular formula: C17H14O3S
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.06636548

Names & identifiers

Preferred name: 2-Naphthyl p-Toluenesulfonate
IUPAC: naphthalen-2-yl 4-methylbenzenesulfonate
English name: 2-Naphthyl p-Toluenesulfonate
Molecular formula: C17H14O3S
Molecular weight: 298.36

Names & synonyms

2-Naphthyl p-Toluenesulfonate7385-85-5DTXSID30278295RefChem:1063904DTXCID20229453naphthalen-2-yl 4-methylbenzenesulfonateMFCD101687012-Naphthol, p-toluenesulfonatenaphthalen-2-yl 4-methylbenzene-1-sulfonate2-naphthyl tosylateNSC69372-naphthyl 4-methylbenzenesulfonate

Show more names

2-Naphthylp-Toluenesulfonate>2-Naphthyl p-Toluenesulfonate2-Naphthalenol, 2-(4-methylbenzenesulfonate)

p-Toluenesulfonic Acid 2-Naphthyl EsterSCHEMBL6882887NSC-6937AKOS000971432CS-W001633naphthalen-2-yl4-methylbenzenesulfonateSCHEMBL29870275s11722

Database identifiers

CAS: 7385-85-5
PubChem CID: 221859
DTXSID: DTXSID30278295
Nikkaji: J953.259E

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 431

Physicochemical properties

Melting point: 123 to · 123.0 to 127.0 °C
Boiling point: 476.7 · 476.7±28.0 °C(Predicted)
Density: 1.277 · 1.277±0.06 g/cm3(Predicted)
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
HS Code: 2904.1 · 2904.10.3700

Safety & regulation

Safety data

hs_code: 2904.10.3700
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501