1-(Chloromethyl)-4-(phenylthio)benzene

HCID 71022CAS 1208-87-3

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Basic information

Standard SMILES: ClCc1ccc(Sc2ccccc2)cc1
InChIKey: RLFHPRWHJYDGSD-UHFFFAOYSA-N
Molecular formula: C13H11ClS
Average molar mass: 234.74 g/mol
Monoisotopic mass: 234.02699903

Names & identifiers

Preferred name: 1-(Chloromethyl)-4-(phenylthio)benzene
IUPAC: 1-(chloromethyl)-4-phenylsulfanylbenzene
English name: 1-(chloromethyl)-4-(phenylthio)benzene
Molecular formula: C13H11ClS
Molecular weight: 234.74

Names & synonyms

1208-87-31-(Chloromethyl)-4-(phenylthio)benzeneEINECS 214-903-4DTXSID30153018NSC 43056RefChem:74654DTXCID7075509214-903-4(4-(Chloromethyl)phenyl)(phenyl)sulfane1-(chloromethyl)-4-phenylsulfanylbenzene1-(Chloromethyl)-4-(phenylsulfanyl)benzeneMFCD09907764

Show more names

1-(Chloromethyl)-4-(phenylsulfanyl)4-(chloromethyl)phenyl phenyl sulfideBenzene, 1-(chloromethyl)-4-(phenylthio)-(4-(Chloromethyl)phenyl)(phenyl)sulfane 2:CAS No: 10-25 gm4-phenyl thio benzyl chloride (4-(chloromethyl)phenyl)(phenyl)sulfane

C13H11ClSNSC-430564-Phenylthio Benzyl Chloride1-(2-Methoxycarbonylphenyl)-1-hexyne; 2-(1-Hexynyl)-benzoic Acid Methyl EsterNSC430564-phenylthiobenzyl chlorideY37XJ4ZH9HSCHEMBL2994386

Database identifiers

CAS: 1208-87-3
PubChem CID: 71022
DTXSID: DTXSID30153018
UNII: Y37XJ4ZH9H
EC Number: 214-903-4
Nikkaji: J217.061B

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 372 ℃ · 372℃
Density: 1.22 · 1.22
Flash point: 167 ℃ · 167℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Yellow to brown Liquid
FDA UNII: 37 XJ4ZH9H · Y37XJ4ZH9H
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses(4-(Chloromethyl)phenyl)(phenyl)sulfane can be used as reactant/reagent in preparation of fenticonazole nitrate by phase transfer-catalyzed benzylation of (dichlorophenyl)imidazoleethanol with (phenylthio)benzyl chloride.