3-Chloro-4-iodobenzotrifluoride

• CAS: 141738-80-9
• Catalog Number: ACM141738809
• Category: Aryl
• Molecular Weight: 306.45
• Molecular Formula: C₇H₂BrCl₂F₃
• Synonyms: 3-Chloro-4-iodobenzotrifluoride, SEW 01265, D1194, 141738-80-9
• IUPAC Name: 2-chloro-1-iodo-4-(trifluoromethyl)benzene
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)I
• InChI Key: ULJRBVGSKAKZKQ-UHFFFAOYSA-N
• Boiling Point: 58-60ºC 0,2mm
• Flash Point: 58-60°C/0.2mm
• Density: 1.9802 g/mL at 25ºC
• Exact Mass: 305.89200
• Hazard Statements: H314
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S26
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Chloro-4-iodobenzotrifluoride?

The molecular formula of 3-Chloro-4-iodobenzotrifluoride is C7H3ClF3I.

What is the molecular weight of 3-Chloro-4-iodobenzotrifluoride?

The molecular weight of 3-Chloro-4-iodobenzotrifluoride is 306.45 g/mol.

When was 3-Chloro-4-iodobenzotrifluoride created?

3-Chloro-4-iodobenzotrifluoride was created on July 19, 2005.

What is the IUPAC name of 3-Chloro-4-iodobenzotrifluoride?

The IUPAC name of 3-Chloro-4-iodobenzotrifluoride is 2-chloro-1-iodo-4-(trifluoromethyl)benzene.

What is the InChI of 3-Chloro-4-iodobenzotrifluoride?

The InChI of 3-Chloro-4-iodobenzotrifluoride is InChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H.

What is the InChIKey of 3-Chloro-4-iodobenzotrifluoride?

The InChIKey of 3-Chloro-4-iodobenzotrifluoride is ULJRBVGSKAKZKQ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4-iodobenzotrifluoride?

The canonical SMILES of 3-Chloro-4-iodobenzotrifluoride is C1=CC(=C(C=C1C(F)(F)F)Cl)I.

What is the CAS number of 3-Chloro-4-iodobenzotrifluoride?

The CAS number of 3-Chloro-4-iodobenzotrifluoride is 141738-80-9.

Is 3-Chloro-4-iodobenzotrifluoride a canonicalized compound?

Yes, 3-Chloro-4-iodobenzotrifluoride is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 135050-44-1

• 141738-80-9

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 28, p. 10330 - 10333
[2] Synthesis (Germany), 2014, vol. 46, # 16, p. 2143 - 2148

Downstream Synthesis Route 1

• 201230-82-2
• 141738-80-9

• 23228-45-7

Reference: [1] Beilstein Journal of Organic Chemistry, 2016, vol. 12, p. 1503 - 1511

Downstream Synthesis Route 2

• 39998-81-7
• 141738-80-9

• 135227-05-3

Reference: [1]Tetrahedron,1992,vol. 48,p. 2579 - 2588

Downstream Synthesis Route 3

• 141738-80-9
• 57260-71-6

• 847971-81-7

Reference: [1]Patent: WO2005/23260,2005,A1 .Location in patent: Page/Page column 41

Downstream Synthesis Route 4

• 141738-80-9
• 140-88-5

• 689300-39-8

Reference: [1]Patent: WO2004/39764,2004,A1 .Location in patent: Page/Page column 112-113

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