(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
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(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
structure -
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CAS No:
207557-35-5
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Formula:
C7H9ClN2O
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Chemical Name:
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
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Synonyms:
2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-,(2S)-;2-Pyrrolidinecarbonitrile,1-(chloroacetyl)-,(2S)-;(2S)-1-(2-Chloroacetyl)-2-pyrrolidinecarbonitrile;1-Chloroacetyl-2-(S)-cyanopyrrolidine;(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile;(2S)-1-chloroacetylpyrrolidine-2-carbonitrile;(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile;(2S)-N-Chloroacetyl-2-cyanopyrrolidine;1-(2-Chloroacetyl)-(2S)-pyrrolidine carbonitrile;(S)-1-(Chloroacetyl)pyrrolidine-2-carbonitrile;2-Pyrrolidinecarbonitrile 1-(2-chloroacetyl)-,(2S)-
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CAS No:
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile Basic Attributes
172.612
172.61
807-388-8
DTXSID00454201
2933990090
Characteristics
44.10000
0.7
1.3±0.1 g/cm3
52-53 °C
363.1±37.0 °C at 760 mmHg
173.4±26.5 °C
1.519
0mmHg at 25°C
Safety Information
P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile Use and Manufacturing
(2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile is a key intermediate for dipeptidyl peptidase IV inhibitor Vildagliptin (V305000).
Computed Properties
Molecular Weight:172.61
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.0403406
Monoisotopic Mass:172.0403406
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:208
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile
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