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O-Allyl 2,2,2-trichloroacetimidate

O-Allyl 2,2,2-trichloroacetimidate - CAS 51479-73-3

Name: O-Allyl 2,2,2-trichloroacetimidate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027453
Product Name:	O-Allyl 2,2,2-trichloroacetimidate
CAS:	51479-73-3
Synonyms:	prop-2-enyl 2,2,2-trichloroethanimidate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	prop-2-enyl 2,2,2-trichloroethanimidate
Description:	O-Allyl 2,2,2-trichloroacetimidate (CAS# 51479-73-3) is a useful research chemical.
Molecular Weight:	202.47
Molecular Formula:	C5H6Cl3NO
Canonical SMILES:	C=CCOC(=N)C(Cl)(Cl)Cl
InChI:	InChI=1S/C5H6Cl3NO/c1-2-3-10-4(9)5(6,7)8/h2,9H,1,3H2
InChI Key:	UJYZRNWTLPBNOR-UHFFFAOYSA-N
Boiling Point:	145.5 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	2.63620

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

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
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
KR-20210074208-A	Atomic layer etching	20191210
US-2021175088-A1	Atomic layer etching	20191210
EP-3634970-A1	Novel process for preparation of empagliflozin or its co-crystals, solvates and their polymorphs thereof	20170605
US-2020131163-A1	Novel process for preparation of empagliflozin or its co-crystals, solvates and their polymorphs thereof	20170605
WO-2018224957-A1	Novel process for preparation of empagliflozin or its co-crystals, solvates and their polymorphs thereof	20170605

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.951497
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.951497
Rotatable Bond Count:	3
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7