Methyl 3,4-difluorobenzoate - CAS 369-25-5

Catalog:	BB023129
Product Name:	Methyl 3,4-difluorobenzoate
CAS:	369-25-5
Synonyms:	methyl 3,4-difluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3,4-difluorobenzoate
Description:	Methyl 3,4-difluorobenzoate (CAS# 369-25-5) is used in preparation of disubstituted 1,5-Naphthyridines as ALK5 inhibitors and therapeutic uses thereof.
Molecular Weight:	172.13
Molecular Formula:	C8H6F2O2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)F)F
InChI:	InChI=1S/C8H6F2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key:	DWRVHDWKWKFSAI-UHFFFAOYSA-N
Boiling Point:	88 °C
Melting Point:	23-27 °C
Purity:	95 %
Density:	1.268 g/cm³
Appearance:	Solid
MDL:	MFCD00276597
LogP:	1.75140

Publication Number	Title	Priority Date
CN-113480993-A	Fluorescent and phosphorescent emission material and preparation method thereof	20210705
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
WO-2021149776-A1	Arylamide derivative having antitumor activity	20200122
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
US-10836749-B1	Substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof	20190923

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03358575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2