4-Chloroindole-3-carbaldehyde
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4-Chloroindole-3-carbaldehyde
structure -
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CAS No:
876-72-2
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Formula:
C9H6ClNO
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Chemical Name:
4-Chloroindole-3-carbaldehyde
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Synonyms:
4-CHLOROINDOLE-3-CARBALDEHYDE;4-CHLOROINDOLE-3-CARBOXALDEHYDE;4-CHLORO-1H-INDOLE-3-CARBALDEHYDE;4-Chloro-1H-indole-3-carboxaldehyde;4-CHLOROINDOLE-3-CARBOXALDEHYDE 98%;4-Chloro-1H-indole-3-carboxaldehyde 98%
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CAS No:
Safety Information
36
26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Chloroindole-3-carbaldehyde Use and Manufacturing
To a stirring DMF (10.63 mL) was added dropwise POC13 (3.55 mL) at 10-20 °C followed by addition of a solution of SM1 (2 g, 13.19 mmol) at 20-30 °C. Thereaction mixture was stirred at 35-37 °C for 45 minutes and finally poured into stirred ice(28 g) and water (21 mL). Sodium hydroxide (6.86 g) in water (36 mL) was added at 20-30°C and made the solution pH=8. The mixture was boiled for 5 minutes and cooled to roomtemperature, extracted with EtOAc, washed with brine. Combined organic extracts were dried over anhydrous Na2504 and concentrated under reduced pressure to obtain crude product, which was purified by silica gel column chromatography eluting with 60percent PE/EtOAc to afford compound 1 (1.037 g, 44percent) as an off-white solid. LC-MS: m/z =180[(M+1)].
Computed Properties
Molecular Weight:179.60
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:179.0137915
Monoisotopic Mass:179.0137915
Topological Polar Surface Area:32.9
Heavy Atom Count:12
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Chloroindole-3-carbaldehyde
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CN
2 YRS
Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 876-72-2Grade: Industrial GradeContent: 95%
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