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2-Chloroacrylamide

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Name

2-Chloroacrylamide

EINECS 240-547-4
CAS No. 16490-68-9 Density 1.239 g/cm3
PSA 44.08000 LogP 1.37390
Solubility N/A Melting Point 94 °C(Solv: benzene (71-43-2))
Formula C3H4ClNO Boiling Point 253.525 °C at 760 mmHg
Molecular Weight 105.524 Flash Point 107.128 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16490-68-9 (2-chloroacrylamide) Hazard Symbols N/A
Synonyms

Acrylamide,2-chloro- (6CI,7CI,8CI);a-Chloroacrylamide;

Article Data 6

2-Chloroacrylamide Synthetic route

920-37-6

2-Chloroacrylonitrile

16490-68-9

2-chloroacrylamide

Conditions
ConditionsYield
With 4-(benzyloxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine In dichloromethane at 50℃; for 1h;69%
With sulfuric acid
19433-84-2

α,β-dichloropropionamide

16490-68-9

2-chloroacrylamide

Conditions
ConditionsYield
With sodium hydroxide; hydroquinone In water
16490-68-9

2-chloroacrylamide

S-<2-Carbamoyl-2-chlorethyl>thioacetamid-hydrochlorid

S-<2-Carbamoyl-2-chlorethyl>thioacetamid-hydrochlorid

Conditions
ConditionsYield
With hydrogenchloride In acetonitrile for 1h; Ambient temperature;98%
16490-68-9

2-chloroacrylamide

2227-79-4

benzenecarbothioamide

116077-25-9

S-<2-Carbamoyl-2-chlorethyl>thiobenzamid-Hydrochlorid

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;96%
2-(azidomethyl)-1,3-difluorobenzene

2-(azidomethyl)-1,3-difluorobenzene

16490-68-9

2-chloroacrylamide

rufinamide

Conditions
ConditionsYield
With triethylamine In ethanol for 24h; Temperature; Time; Reagent/catalyst; Solvent; Reflux;76%
16490-68-9

2-chloroacrylamide

20277-69-4

sodium methansulfinate

10568-98-6

2-Chlor-3-methylsulfonyl-propionamid

Conditions
ConditionsYield
With sulfuric acid
16490-68-9

2-chloroacrylamide

20035-08-9

sodium ethanesulfinate

10568-87-3

2-Chloro-3-ethanesulfonyl-propionamide

Conditions
ConditionsYield
With hydrogenchloride
57440-57-0

1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolidine

16490-68-9

2-chloroacrylamide

120686-08-0

1',5',7',8'-tetrahydrospiro<1,3-dioxolane-2,6'(2'H)-quinolin>-2'-one

Conditions
ConditionsYield
With water 1) dioxane, 12h, reflux 2) 10h, reflux; Multistep reaction;

2-Chloroacrylamide Specification

The 2-Propenamide,2-chloro-, with the CAS registry number 16490-68-9, is also known as 2-Chloro-2-propenamide. Its EINECS registry number is 240-547-4. This chemical's molecular formula is C3H4ClNO and molecular weight is 105.52. What's more, its systematic name is called 2-Chloroacrylamide.

Physical properties about 2-Propenamide,2-chloro- are: (1)ACD/LogP: -0.056; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 22.22; (8)ACD/KOC (pH 7.4): 22.21; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 23.93 cm3; (15)Molar Volume: 85.132 cm3; (16)Polarizability: 9.486×10-24cm3; (17)Surface Tension: 36.490 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 107.128 °C; (20)Enthalpy of Vaporization: 49.092 kJ/mol; (21)Boiling Point: 253.525 °C at 760 mmHg; (22)Vapour Pressure: 0.0180 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl/C(=C)C(=O)N
(2) InChI: InChI=1S/C3H4ClNO/c1-2(4)3(5)6/h1H2,(H2,5,6)
(3) InChIKey: YBXYCBGDIALKAK-UHFFFAOYSA-N

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