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17756-81-9

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Basic Information
CAS No.: 17756-81-9
Name: 2-chloro-n-(2-cyanoethyl)-acetamid
Article Data: 3
Molecular Structure:
Molecular Structure of 17756-81-9 (2-chloro-n-(2-cyanoethyl)-acetamid)
Formula: C5H7ClN2O
Molecular Weight: 146.59
Synonyms: Acetamide,2-chloro-N-(2-cyanoethyl);Udankor;Udonkor;NF 21;N-(2-cyanoethyl)chloroacetamide;CECA;
Density: 1.203g/cm3
Boiling Point: 388.9°Cat760mmHg
Flash Point: 189°C
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 56.38000
LogP: 1.09538
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    2-CHLORO-N-(2-CYANOETHYL)ACETAMIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Molecule structure of N-(beta-Cyanoethyl)monochloroacetamide (CAS NO.17756-81-9):

IUPAC Name: 2-Chloro-N-(2-cyanoethyl)acetamide 
Molecular Weight: 146.57488 g/mol
Molecular Formula: C5H7ClN2O 
Density: 1.203 g/cm3 
Boiling Point: 388.9 °C at 760 mmHg 
Flash Point: 189 °C
Index of Refraction: 1.463
Molar Refractivity: 33.6 cm3
Molar Volume: 121.7 cm3
Polarizability: 13.32×10-24 cm3
Surface Tension: 42.4 dyne/cm 
Enthalpy of Vaporization: 63.82 kJ/mol
Vapour Pressure: 2.96E-06 mmHg at 25 °C
XLogP3-AA: -0.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 146.024691
MonoIsotopic Mass: 146.024691
Topological Polar Surface Area: 52.9
Heavy Atom Count: 9
Complexity: 137
Canonical SMILES: C(CNC(=O)CCl)C#N
InChI: InChI=1S/C5H7ClN2O/c6-4-5(9)8-3-1-2-7/h1,3-4H2,(H,8,9)
InChIKey: WECIKJKLCDCIMY-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:410 mg/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C64.

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 N-(beta-Cyanoethyl)monochloroacetamide (CAS NO.17756-81-9) is also named as 2-Chloro-N-(2-cyanoethyl)acetamide ; BRN 2238620 ; CECA ; N-(beta-Cyanoethyl)chloroacetamide ; NF 21 ; Udankor ; Udonkor ; Acetamide, 2-chloro-N-(2-cyanoethyl)- . N-(beta-Cyanoethyl)monochloroacetamide (CAS NO.17756-81-9) is highly toxic. It will produce toxic nitrogen oxide and chloride gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep N-(beta-Cyanoethyl)monochloroacetamide (CAS NO.17756-81-9) separate from raw materials of food.