Methylindole-4-carboxylate
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Methylindole-4-carboxylate
structure -
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CAS No:
39830-66-5
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Formula:
C10H9NO2
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Chemical Name:
Methylindole-4-carboxylate
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Synonyms:
Methyl indole-4-carboxylate ,99%;methylindole-4-carboxylate , (4-indole-carboxylic acid methyl ester);METHYL-1H-INDOLE-4-CARBOXYLATE;Methyl indole-4-carboxylate ,98%;Methyl indole-4-carboxyla...;4-(Methoxycarbonyl)-1H-indole;4-Methoxycarbonylindole;RARECHEM AH BS 0113
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CAS No:
Characteristics
42.09000
1.95450
Off-white crystalline powder
1.1999
68-71 °C(lit.)
306.47°C (rough estimate)
154.4ºC
1.5060 (estimate)
0-6ºC
15.80±0.30
Safety Information
IRRITANT
3
36/37/38
26-36
Xi
P261; P305 + P351 + P338
H315; H319; H335
|Warning|H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methylindole-4-carboxylate Use and Manufacturing
• ;Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators1• ;Reactant for preparation of cytotoxic agents against multidrug-resistant cancer cells2• ;Reactant for preparation of inhibitor for β-tryptase3• ;Reactant for preparation of histamine H3 antagonists4• ;Reactant for preparation of JNK3 MAP kinase inhibitors5• ;Reactant for preparation of nucleosides6
Computed Properties
Molecular Weight:175.18
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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