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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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[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
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

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