DBD-NCS
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DBD-NCS
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CAS No:
147611-81-2
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Formula:
C9H8N4O3S2
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Chemical Name:
DBD-NCS
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Synonyms:
DBD-NCS [=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and Edman Degradation];DBD-NCS[=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole];DBD-NCS[=4-(N,N-Dimethylaminosulfonyl)-7-isothiocya;4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanatobenzofurazan4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole;[=4-(N,N-DiMethylaMinosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and EdMan Degradation];DBD-NCS 4-(N,N-DIMETHYLAMINOSULFONYL)-7-ISOTHIOCYANATO-2,1,3-BENZOXADIAZOLE;4-(N,N-DIMETHYLAMINOSULFONYL)-7-ISOTHIOCYANATOBENZOFURAZAN
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CAS No:
Characteristics
129
2.28820
1.58±0.1 g/cm3(Predicted)
126°C
458.1±55.0 °C(Predicted)
230.8ºC
1.711
Refrigerator
Safety Information
36/37/38
26-36/37/39
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:284.3
XLogP3:1.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:284.00378248
Monoisotopic Mass:284.00378248
Topological Polar Surface Area:129
Heavy Atom Count:18
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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