4-Fluoro-3-methylbenzoyl chloride - CAS 455-84-5

Catalog:	BB025934
Product Name:	4-Fluoro-3-methylbenzoyl chloride
CAS:	455-84-5
Synonyms:	4-fluoro-3-methylbenzoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-methylbenzoyl chloride
Description:	4-Fluoro-3-methylbenzoyl Chloride can be used as medicinal compositions as p38MAP kinases and/or TNF-α production inhibitor for pain.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	CC1=C(C=CC(=C1)C(=O)Cl)F
InChI:	InChI=1S/C8H6ClFO/c1-5-4-6(8(9)11)2-3-7(5)10/h2-4H,1H3
InChI Key:	FMFLKTDRPXYUGP-UHFFFAOYSA-N
Boiling Point:	113 ℃ (20 torr)
Density:	1.215 g/cm³
MDL:	MFCD01631426
LogP:	2.51310

Publication Number	Title	Priority Date
WO-2019074747-A1	NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO)	20171009
EP-3694502-A1	Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171009
US-2020277252-A1	Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171009
AU-2017322427-A1	Pyrazolopyridine derivatives as HPK1 modulators and uses thereof for the treatment of cancer	20160909
CA-3036358-A1	Pyrazolopyridine derivatives as hpk1 modulators and uses thereof for the treatment of cancer	20160909

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0091207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5