3-Iodobenzotrifluoride

CAS
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Purity
Price
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CAS
401-81-0
Size
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Purity
95%
Price
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Availability
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Quantity
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Catalog Number

ACM401810

Product Name

3-Iodobenzotrifluoride

Structure

Structure

CAS

401-81-0

Category

Aryl

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

Molecular Weight

272.01

Molecular Formula

C₇H₄F₃I

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

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3-Iodobenzotrifluoride?

The molecular formula of 3-Iodobenzotrifluoride is C7H4F3I.

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 InChI of 3-Iodobenzotrifluoride?

The InChI of 3-Iodobenzotrifluoride is InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H.

What is the InChIKey of 3-Iodobenzotrifluoride?

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

What is the canonical SMILES of 3-Iodobenzotrifluoride?

The canonical SMILES 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 European Community (EC) number of 3-Iodobenzotrifluoride?

The European Community (EC) number of 3-Iodobenzotrifluoride is 206-934-7.

What is the UNII of 3-Iodobenzotrifluoride?

The UNII of 3-Iodobenzotrifluoride is KW752XDX45.

Is 3-Iodobenzotrifluoride a canonicalized compound?

Yes, 3-Iodobenzotrifluoride is a canonicalized compound according to PubChem.

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