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16490-68-9
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Basic Information
CAS No.: 16490-68-9
Name: 2-chloroacrylamide
Molecular Structure:
Molecular Structure of 16490-68-9 (2-chloroacrylamide)
Formula: C3H4ClNO
Molecular Weight: 105.524
Synonyms: Acrylamide,2-chloro- (6CI,7CI,8CI);a-Chloroacrylamide;
EINECS: 240-547-4
Density: 1.239 g/cm3
Melting Point: 94 °C(Solv: benzene (71-43-2))
Boiling Point: 253.525 °C at 760 mmHg
Flash Point: 107.128 °C
PSA: 44.08000
LogP: 1.37390
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Conditions
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With sodium hydroxide; hydroquinone In water
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Conditions
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With hydrogenchloride In acetonitrile for 1h; Ambient temperature;98%
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Conditions
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Conditions
ConditionsYield
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sodium methansulfinate

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Conditions
ConditionsYield
With sulfuric acid
16490-68-9

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Conditions
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Conditions
ConditionsYield
With water 1) dioxane, 12h, reflux 2) 10h, reflux; Multistep reaction;
Raw Materials
19433-84-2
920-37-6
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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