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

Name: Methyl 3,4-difluorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

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

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

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