3-Iodobenzotrifluoride (Q72483412)

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chemical compound

• 3-Iodo-alpha,alpha,alpha-trifluorotoluene
• 1-Iodo-3-(trifluoromethyl)benzene

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Language	Label	Description	Also known as
English	3-Iodobenzotrifluoride	chemical compound	3-Iodo-alpha,alpha,alpha-trifluorotoluene 1-Iodo-3-(trifluoromethyl)benzene

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

3-Iodbenzotrifluorid.svg
155 × 191; 7 KB

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mass

271.930982788 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₄F₃I

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canonical SMILES

C1=CC(=CC(=C1)I)C(F)(F)F

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melting point

−8.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

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

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InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

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CAS Registry Number

401-81-0

1 reference

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=401-81-0

ChemSpider ID

61185

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PubChem CID

67868

1 reference

matched by identifier from

InChIKey

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL1377

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

UniChem compound ID

17381735

1 reference

stated in

UniChem

NMRShiftDB structure ID

20044441

1 reference

matched by identifier from

InChIKey

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

DSSTox substance ID

DTXSID6059948

1 reference

matched by identifier from

InChIKey

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID1039715

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NSC number

88322

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EC number

206-934-7

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ECHA Substance Infocard ID

100.006.305

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.305

retrieved

29 December 2019

title

α,α,α-trifluoro-m-iodotoluene (English)

quotation

CAS no.: 401-81-0 (English)

UNII

KW752XDX45

1 reference

matched by identifier from

InChIKey

InChIKey

IGISPMBUGPHLBY-UHFFFAOYSA-N

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 1-Iod-3-(trifluormethyl)benzol

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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