2-(Difluoromethoxy)aniline - CAS 22236-04-0

Name: 2-(Difluoromethoxy)aniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017462
Product Name:	2-(Difluoromethoxy)aniline
CAS:	22236-04-0
Synonyms:	2-(difluoromethoxy)aniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(difluoromethoxy)aniline
Description:	2-(Difluoromethoxy)aniline (CAS# 22236-04-0) is a useful research chemical.
Molecular Weight:	159.13
Molecular Formula:	C7H7F2NO
Canonical SMILES:	C1=CC=C(C(=C1)N)OC(F)F
InChI:	InChI=1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2
InChI Key:	CGNAIUUCOVWLLL-UHFFFAOYSA-N
Boiling Point:	205 °C (lit.)
Density:	1.26 g/cm³
MDL:	MFCD00190104
LogP:	2.45140

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1232060-85-3]C6H13NO2
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[42150-24-3]C5H9N3
2-(4-Pyrazolyl)ethylamine
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde

Fluorinated Building Blocks

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[132182-92-4]C7H3F13O
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Nitrogen 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
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H302 (99.07%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2020216773-A1	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424
WO-2020216774-A1	4h-pyrrolo[3,2-c]pyridin-4-one derivatives	20190424
WO-2020216781-A1	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.04957017
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.04957017
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1