2-Chloro-6-fluorobenzaldoxime - CAS 443-33-4

Name: 2-Chloro-6-fluorobenzaldoxime
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025568
Product Name:	2-Chloro-6-fluorobenzaldoxime
CAS:	443-33-4
Synonyms:	(NE)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(NE)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine
Description:	Used in the preparation of arenecarboxylic acids.
Molecular Weight:	173.57
Molecular Formula:	C7H5ClFNO
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)C=NO)F
InChI:	InChI=1S/C7H5ClFNO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+
InChI Key:	OBJHLLOVMKKXDI-ONNFQVAWSA-N
Boiling Point:	238 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD00837704
LogP:	2.28720

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2004077675-A1	Compounds and methods for inhibiting MRP1	19991007
US-6670373-B1	Compounds and method for inhibiting MRP1	19991007

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	173.0043696
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.0043696
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4