CAS 30506-30-0 1-Bromo-4-(ethylthio)benzene (HCID 7006650)

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Basic information

CAS: 30506-30-0
Standard SMILES: CCSc1ccc(Br)cc1
InChIKey: CTFHVAKXUMMGOC-UHFFFAOYSA-N
Molecular formula: C8H9BrS
Average molar mass: 217.13 g/mol
Monoisotopic mass: 215.96083

Names & identifiers

Preferred name: 1-Bromo-4-(ethylthio)benzene
IUPAC: 1-bromo-4-ethylsulfanylbenzene
English name: 1-Bromo-4-(ethylthio)benzene
Molecular formula: C8H9BrS
Molecular weight: 217.13

Names & synonyms

1-Bromo-4-(ethylthio)benzene30506-30-01-bromo-4-ethylsulfanylbenzene1-bromo-4-(ethylsulfanyl)benzeneBenzene, 1-bromo-4-(ethylthio)-MFCD01318109(4-bromophenyl)(ethyl)sulfaneBenzene,1-bromo-4-(ethylthio)-1-Bromo-4-ethylsulfanyl-benzene4-Bromophenylethylsulfide4-(Ethylthio)bromobenzene1-bromo-4-ethylthiobenzene

Show more names

4-Bromophenyl ethyl sulphide4-Bromophenyl ethyl sulphide~4-(Ethylthio)bromobenzene

4-bromo-1-ethylthiobenzene4-Bromophenyl ethyl sulfideSCHEMBL1739837SCHEMBL1739838SCHEMBL20958781-bromo-4-(ethylthio)-benzene4-Bromophenyl ethyl sulphideDTXSID30426512

Database identifiers

CAS: 30506-30-0
PubChem CID: 7006650
DTXSID: DTXSID30426512
Nikkaji: J1.516.196E

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 109 · 109-111°C 2mm
refractive index: 1.6069 · 1.6069
Flash point: 109 · 109-111°C/2mm
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
BRN: 2354970 · 2354970
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements