benzene, 1-bromo-3-iodo- (Q69756769)

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chemical compound

• 1-Bromo-3-iodobenzene
• 3-Bromoiodobenzene

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Language	Label	Description	Also known as
English	benzene, 1-bromo-3-iodo-	chemical compound	1-Bromo-3-iodobenzene 3-Bromoiodobenzene

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

1-Brom-3-iodbenzol.svg
162 × 195; 6 KB

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mass

281.85411022799997 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆H₄BrI

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canonical SMILES

Ic1cccc(Br)c1

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melting point

−9.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

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InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

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CAS Registry Number

591-18-4

1 reference

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=591-18-4

ChemSpider ID

11073

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PubChem CID

11561

1 reference

matched by identifier from

InChIKey

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL79244

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

UniChem compound ID

12573247

1 reference

stated in

UniChem

NMRShiftDB structure ID

20123981

1 reference

matched by identifier from

InChIKey

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9060447

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0042539

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EC number

209-703-9

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ECHA Substance Infocard ID

100.008.823

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.823

retrieved

29 December 2019

title

1-bromo-3-iodobenzene (English)

quotation

CAS no.: 591-18-4 (English)

UNII

MQH7NC2UMH

1 reference

matched by identifier from

InChIKey

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 1-Brom-3-iodbenzol

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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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