3-Chloro-5-fluorosalicylaldehyde - CAS 82128-69-6

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

Catalog:	BB036762
Product Name:	3-Chloro-5-fluorosalicylaldehyde
CAS:	82128-69-6
Synonyms:	Benzaldehyde, 3-chloro-5-fluoro-2-hydroxy-; 5-Fluoro-2-hydroxy-3-chlorobenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-5-fluoro-2-hydroxybenzaldehyde
Molecular Weight:	174.56
Molecular Formula:	C7H4ClFO2
Canonical SMILES:	C1=C(C=C(C(=C1Cl)O)C=O)F
InChI:	InChI=1S/C7H4ClFO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H
InChI Key:	VHXIEGGPMOEWNK-UHFFFAOYSA-N
Boiling Point:	210.5±35.0°C at 760 mmHg
Melting Point:	95-99°C
Purity:	≥95%
Density:	1.508±0.06 g/cm3
Appearance:	Pale Lemon Powder
MDL:	MFCD04039291
LogP:	1.99720

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[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
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Other Pyrimidines

[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111116608-A	N-benzyl aniline derivatives with free radical scavenging effect and pharmaceutical application thereof	20200110
BR-102016024810-A2	Curcumin application as biodiesel stabilizer	20161024
US-10689400-B2	Macrocycle kinase inhibitors	20160728
US-2019169208-A1	Macrocycle kinase inhibitors	20160728
WO-2018022911-A1	Macrocycle kinase inhibitors	20160728

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9883852
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.9883852
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3