3-(Trifluoromethylthio)bromobenzene

• CAS: 2252-45-1
• Catalog Number: ACM2252451
• Category: Bromine Series
• Molecular Weight: 257.07
• Molecular Formula: C₇H₄BrF₃S
• Synonyms: 1-BROMO-3-TRIFLUOROMETHYLSULFANYL-BENZENE;3-TRIFLUOROMETHYLMERCAPTOBROMOBENZENE;3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE;3-BROMOPHENYL TRIFLUOROMETHYL SULFIDE;3-BROMOPHENYL TRIFLUOROMETHYL SULPHIDE;3-Bromophenyltrifluoromethylsulphide98%
• IUPAC Name: 1-bromo-3-(trifluoromethylsulfanyl)benzene
• Canonical SMILES: C1=CC(=CC(=C1)Br)SC(F)(F)F
• InChI Key: OLHXBVBNFOHXOB-UHFFFAOYSA-N
• Boiling Point: 161.2ºC at 760 mmHg
• Flash Point: 51.3ºC
• Density: 1.71 g/cm³
• Exact Mass: 255.91700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the PubChem CID of 3-(Trifluoromethylthio)bromobenzene?

PubChem CID 2736361.

What is the chemical structure of 3-(Trifluoromethylthio)bromobenzene?

The chemical structure of 3-(Trifluoromethylthio)bromobenzene is C7H4BrF3S.

What is the molecular formula of 3-(Trifluoromethylthio)bromobenzene?

The molecular formula of 3-(Trifluoromethylthio)bromobenzene is C7H4BrF3S.

What is the molecular weight of 3-(Trifluoromethylthio)bromobenzene?

The molecular weight of 3-(Trifluoromethylthio)bromobenzene is 257.07 g/mol.

What is the IUPAC name of 3-(Trifluoromethylthio)bromobenzene?

The IUPAC name of 3-(Trifluoromethylthio)bromobenzene is 1-bromo-3-(trifluoromethylsulfanyl)benzene.

What is the InChI Key of 3-(Trifluoromethylthio)bromobenzene?

The InChI Key of 3-(Trifluoromethylthio)bromobenzene is OLHXBVBNFOHXOB-UHFFFAOYSA-N.

What is the CAS number of 3-(Trifluoromethylthio)bromobenzene?

The CAS number of 3-(Trifluoromethylthio)bromobenzene is 2252-45-1.

What is the European Community (EC) Number of 3-(Trifluoromethylthio)bromobenzene?

The European Community (EC) Number of 3-(Trifluoromethylthio)bromobenzene is 671-803-7.

What is the Monoisotopic Mass of 3-(Trifluoromethylthio)bromobenzene?

The Monoisotopic Mass of 3-(Trifluoromethylthio)bromobenzene is 255.91692 g/mol.

Is 3-(Trifluoromethylthio)bromobenzene a canonicalized compound?

Yes, 3-(Trifluoromethylthio)bromobenzene is a canonicalized compound, according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 887144-97-0
• 6320-01-0

• 2252-45-1

Reference: [1] Angewandte Chemie - International Edition, 2007, vol. 46, # 5, p. 754 - 757
[2] Chimia, 2008, vol. 62, # 4, p. 260 - 263

Upstream Synthesis Route 2

• 372-64-5
• 591-19-5

• 2252-45-1

Reference: [1] European Journal of Organic Chemistry, 2017, vol. 2017, # 45, p. 6722 - 6725

Upstream Synthesis Route 3

• 6320-01-0

• 2252-45-1

Reference: [1] Journal of Organic Chemistry, 1960, vol. 25, p. 60 - 65
[2] Journal of Fluorine Chemistry, 2017, vol. 203, p. 130 - 135

Upstream Synthesis Route 4

• 90942-22-6

• 2252-45-1

Reference: [1]Journal of Organic Chemistry,1960,vol. 25,p. 60 - 65

Downstream Synthesis Route 1

• 2252-45-1
• 103-84-4

• 1514-25-6

Reference: [1]Journal of Organic Chemistry,1960,vol. 25,p. 60 - 65

* For details of the synthesis route, please refer to the original source to ensure accuracy.