4-Iodobenzyl isothiocyanate

Modify Date: 2025-10-08 18:44:00

4-Iodobenzyl isothiocyanate Structure
4-Iodobenzyl isothiocyanate structure
 Common Name 4-Iodobenzyl isothiocyanate
CAS Number 3694-49-3 Molecular Weight 275.10900
Density 1.68g/cm3 Boiling Point 308.9ºC at 760 mmHg
Molecular Formula C8H6INS Melting Point N/A
MSDS N/A Flash Point 140.6ºC

 Names

Name 1-iodo-4-(isothiocyanatomethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.68g/cm3
Boiling Point 308.9ºC at 760 mmHg
Molecular Formula C8H6INS
Molecular Weight 275.10900
Flash Point 140.6ºC
Exact Mass 274.92700
PSA 44.45000
LogP 2.89400
Index of Refraction 1.652
InChIKey QMNNXEXDGXWBME-UHFFFAOYSA-N
SMILES S=C=NCc1ccc(I)cc1

 Safety Information

HS Code 2930909090

 Synthetic Route

1-(4-Iodophenyl)methanamine hydrochloride (1:1) structure

1-(4-Iodophenyl...

CAS#:59528-27-7

1,1'-Carbonothioyldi(2(1H)-pyridinone) structure

1,1'-Carbonothi...

CAS#:102368-13-8

~62%

4-Iodobenzyl isothiocyanate Structure

4-Iodobenzyl is...

CAS#:3694-49-3

Literature: Windhorst, Albert D.; Timmerman, Henk; Worthington, Edward A.; Bijloo, Greetje J.; Nederkoorn, Paul H. J.; Menge, Wiro M. P. B.; Leurs, Rob; Herscheid, Jacobus D. M. Journal of Medicinal Chemistry, 2000 , vol. 43, # 9 p. 1754 - 1761

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

4-Jod-benzylisothiocyanat
Benzene,1-iodo-4-(isothiocyanatomethyl)
ISOTHIOCYANIC ACID,p-IODOBENZYL ESTER
4-iodo-benzyl isothiocyanate
Benzene,1-iodo-4-(isothiocyanatomethyl)-(9CI)
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Chemsrc provides 4-Iodobenzyl isothiocyanate(CAS#:3694-49-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 4-Iodobenzyl isothiocyanate are included as well.>> amp version: 4-Iodobenzyl isothiocyanate

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