3-Iodobenzotrifluoride

• CAS: 401-81-0
• Catalog Number: ACM401810
• Category: Aryl
• Molecular Weight: 272.01
• Molecular Formula: C₇H₄F₃I
• Synonyms: m-Iodobenzotrifluoride, 3-Iodobenzotrifluoride, m-(Trifluoromethyl)iodobenzene, NCIOpen2_005344, Benzene, 1-iodo-3-(trifluoromethyl)-, 206563_ALDRICH, 1-Iodo-3-(trifluoromethyl)benzene, NSC88322, EINECS 206-934-7, NSC 88322, alpha,alpha,alpha-Trifluoro-m-iodotoluene, 3-Iodo-alpha,alpha,alpha-trifluorotoluene, TL 00230, TL8002909, Toluene, alpha,alpha,alpha-trifluoro-m-iodo-, .alpha.,.alpha.,.alpha.-Trifluoro-m-iodotoluene, Toluene, .alpha.,.alpha.,.alpha.-trifluoro-m-iodo-, 401-81-0, InChI=1/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4
• IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene
• Canonical SMILES: C1=CC(=CC(=C1)I)C(F)(F)F
• InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N
• Boiling Point: 182-183ºC
• Melting Point: -8ºC
• Flash Point: 70ºC
• Density: 1.887
• Appearance: Clear slightly yellow liquid
• EC Number: 206-934-7
• Exact Mass: 271.93100
• Hazard Statements: H319
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: UN3265 - class 8 - PG 2 - EHS - Corrosive liquid, acidic, organic, n.o.s., HI: all
• Safety Description: S26-S37/39
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Iodobenzotrifluoride?

The molecular formula of 3-Iodobenzotrifluoride is C7H4F3I.

When was 3-Iodobenzotrifluoride created and last modified?

It was created on 2005-03-26 and last modified on 2023-11-25.

What is the molecular weight of 3-Iodobenzotrifluoride?

The molecular weight of 3-Iodobenzotrifluoride is 272.01 g/mol.

What is the IUPAC name of 3-Iodobenzotrifluoride?

The IUPAC name of 3-Iodobenzotrifluoride is 1-iodo-3-(trifluoromethyl)benzene.

What is the InChIKey code of 3-Iodobenzotrifluoride?

The InChIKey code of 3-Iodobenzotrifluoride is IGISPMBUGPHLBY-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3-Iodobenzotrifluoride?

The Canonical SMILES representation of 3-Iodobenzotrifluoride is C1=CC(=CC(=C1)I)C(F)(F)F.

What is the CAS number of 3-Iodobenzotrifluoride?

The CAS number of 3-Iodobenzotrifluoride is 401-81-0.

What is the XLogP3 value of 3-Iodobenzotrifluoride?

The XLogP3 value of 3-Iodobenzotrifluoride is 3.6.

How many hydrogen bond acceptors are there in 3-Iodobenzotrifluoride?

There are 3 hydrogen bond acceptors in 3-Iodobenzotrifluoride.

Is 3-Iodobenzotrifluoride considered as a canonicalized compound?

Yes, 3-Iodobenzotrifluoride is considered as a canonicalized compound.