3-Chloro-4-fluoroiodobenzene - CAS 156150-67-3

Name: 3-Chloro-4-fluoroiodobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011200
Product Name:	3-Chloro-4-fluoroiodobenzene
CAS:	156150-67-3
Synonyms:	2-chloro-1-fluoro-4-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1-fluoro-4-iodobenzene
Description:	3-Chloro-4-Fluoroiodobenzene can be used as CDK2 inhibitors for enzyme inhibitory activity.
Molecular Weight:	256.44
Molecular Formula:	C6H3ClFI
Canonical SMILES:	C1=CC(=C(C=C1I)Cl)F
InChI:	InChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChI Key:	OMASDGWBVAVFQZ-UHFFFAOYSA-N
Boiling Point:	94-95 °C / 15 mmHg (lit.)
Density:	2.008 g/mLat25 °C (lit.)
Appearance:	Clear colourless to light yellow liquid
MDL:	MFCD00042210
LogP:	3.08370

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]C7H6F2
2,4-Difluorotoluene
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Other Pyrimidines

[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021123785-A1	Dna polymerase theta inhibitors	20191217
CN-111097520-A	Covalent organic framework material loaded Pd catalyst and preparation method and application thereof	20191213
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113690-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021097240-A1	Compounds and uses thereof	20191113

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.89520
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.89520
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3