(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan
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(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan
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CAS No:
163927-29-5
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Formula:
C11H9N5O3S
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Chemical Name:
(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan
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Synonyms:
7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole; (R)-(-)-NBD-Py-NCS; (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole;
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CAS No:
(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan Basic Attributes
291.28600
291.04261034
DTXSID20584938
2934999090
Characteristics
132.43000
2.40070
1.71g/cm3
538ºC at 760 mmHg
279.2ºC
1.808
2-8ºC
1.21E-11mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:291.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:291.04261034
Monoisotopic Mass:291.04261034
Topological Polar Surface Area:132
Heavy Atom Count:20
Complexity:438
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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