5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE
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5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE
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CAS No:
94805-51-3
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Formula:
C6H4N2O
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Chemical Name:
5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE
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Synonyms:
2,3-DIHYDRO-5-FLUORO(1H)-INDOLE;4-Pyridinecarbonitrile,1,2-dihydro-2-oxo-(9CI);1,2-dihydro-2-oxo-4-Pyridinecarbonitrile
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CAS No:
Safety Information
36/37/38
26-37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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.
5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE Use and Manufacturing
NaN0General procedure: Step d). To a stirred solution of triphosgene (0.5g, 1.70mmol) in dichloromethane (15mL) at 0C under an argon atmosphere was added dropwise a mixture of 3-cyanophenol (0.58g, 4.87mmol) and N, N-diisopropylethylamine (0.87mL, 5.0mmol) in methylene chloride (15mL). The reaction mixture was stirred at 0 C for 1h and then diluted with ice-cold water and extracted with methylene chloride (2 x 10mL). The combined organic extracts were dried over MgSO4. The solvent was removed under reduced vacuum to give
Computed Properties
Molecular Weight:120.11
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:120.032362755
Monoisotopic Mass:120.032362755
Topological Polar Surface Area:52.9
Heavy Atom Count:9
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE
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