2-Fluoro-4-methoxybenzaldehyde - CAS 331-64-6

Catalog:	BB021583
Product Name:	2-Fluoro-4-methoxybenzaldehyde
CAS:	331-64-6
Synonyms:	2-fluoro-4-methoxybenzaldehyde

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2-fluoro-4-methoxybenzaldehyde
Description:	2-Fluoro-4-methoxybenzaldehyde was used in the synthesis of new analogues as inhibitors for phosphodiesterase 10A.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	COC1=CC(=C(C=C1)C=O)F
InChI:	InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key:	UNWQNFJBBWXFBG-UHFFFAOYSA-N
Boiling Point:	226.5 °C at 760 mmHg
Purity:	98 %
Density:	1.192 g/cm³
Appearance:	White to off-white crystalline solid
MDL:	MFCD00236679
LogP:	1.64680

Publication Number	Title	Priority Date
CN-111848527-A	4-chloro-2- (2-fluoro-4-methoxyphenyl) -6-methoxyquinazoline and synthetic method thereof	20200811
CN-112979675-A	Small-molecule sulfur-containing heterocyclic compound	20191212
WO-2021115495-A1	Small-molecule sulfur-containing heterocyclic compound	20191212
WO-2021108023-A1	Penicillin-binding protein inhibitors	20191126
WO-2021102300-A1	Piperazine compounds for inhibiting cps1	20191122

PMID	Publication Date	Title	Journal
22090962	20110801	Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide
[451-46-7]
Ethyl 4-fluorobenzoate
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

GHS Hazard Statement:	H302 (22.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5