5-Fluoro-3-iodotoluene - CAS 491862-84-1

Name: 5-Fluoro-3-iodotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026649
Product Name:	5-Fluoro-3-iodotoluene
CAS:	491862-84-1
Synonyms:	1-fluoro-3-iodo-5-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-3-iodo-5-methylbenzene
Description:	5-Fluoro-3-iodotoluene (CAS# 491862-84-1) is a useful research chemical.
Molecular Weight:	236.03
Molecular Formula:	C7H6FI
Canonical SMILES:	CC1=CC(=CC(=C1)I)F
InChI:	InChI=1S/C7H6FI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChI Key:	OIYMMFUTIUURQT-UHFFFAOYSA-N
Boiling Point:	207.4 °C at 760 mmHg
Purity:	98 %
Density:	1.773 g/mL at 25 °C
MDL:	MFCD07779015
LogP:	2.73870

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[712347-12-1]C10H7ClFNO3
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[861434-97-1]C13H11ClN2O3
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3712143-A1	Quinazolinone compound and application thereof	20171113
EP-3590942-B1	Hepatitis b virus surface antigen inhibitor	20170309
BR-112019004586-A2	pyrazolopyridine derivatives as hpk1 modulators and their uses for cancer treatment	20160909
WO-2018047983-A1	Indane derivatives useful as modulators of mglur7	20160907
US-10199584-B2	Organometallic compound and organic light-emitting device including the same	20160810

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.94983
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.94983
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3