alpha,4-Dichlorobenzaldoxime - CAS 28123-63-9

Catalog:	BB019772
Product Name:	alpha,4-Dichlorobenzaldoxime
CAS:	28123-63-9
Synonyms:	(1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride; (1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride
Description:	alpha,4-Dichlorobenzaldoxime (CAS# 28123-63-9) is a useful research chemical.
Molecular Weight:	190.03
Molecular Formula:	C7H5Cl2NO
Canonical SMILES:	C1=CC(=CC=C1C(=NO)Cl)Cl
InChI:	InChI=1S/C7H5Cl2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-
InChI Key:	JPBNMRDGFBFKLT-YFHOEESVSA-N
Appearance:	Solid
MDL:	MFCD00136374
LogP:	2.71460

Publication Number	Title	Priority Date
WO-2020008317-A1	Acylsufonamide compounds useful as ep3 receptor antagonists	20180703
US-2020247796-A1	Pyrrole derivatives as plk1 inhibitors	20170428
EP-3386591-A1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
EP-3386591-B1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
US-10626122-B2	Heteroaromatic NMDA receptor modulators and uses thereof	20151209

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	188.9748192
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3