CARBAZOL-9-YL-ACETICACID
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CARBAZOL-9-YL-ACETICACID
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CAS No:
524-80-1
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Formula:
C14H11NO2
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Chemical Name:
CARBAZOL-9-YL-ACETICACID
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Synonyms:
TIMTEC-BBSBB010077;N,N-Diphenyleneglycine;9-CARBAZOLEACETICACID;(9-carbazolyl)aceticacid;CARBAZOL-9-YL-ACETICACID;9H-Carbazole-9-aceticacid;9-(Carboxymethyl)carbazole;2-(Carbazol-9-yl)aceticacid;9-(Carboxymethyl)-9H-carbazole;2-(9H-Carbazole-9-yl)aceticacid
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36/37/38
26
Xn,Xi
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
CARBAZOL-9-YL-ACETICACID Use and Manufacturing
To a solution of 5 g (0.03 mol) carbazole in 100 mL of DMF, 6.68 g (0.04 mol) ethyl bromoacetate was added. The mixture was stirred at 35 °C for 12 h, then poured into 200 mL water, filtered. The pH of filtrate was adjusted to 1.0 with 2 M hydrochloric acid. Crude product was obtained by filtration, then dried. White crystals were obtained after crystallization (CHTo a dry 250 mL three-necked flask was added 0.005 mol of carbazole, 0.005 mol of potassium chloroacetate, 0.05 mol of N, N-dimethylformamide;The flask was heated and triethylamine was added dropwise to adjust the pH to 8, heated to 25 ° C and stirred while TLC was monitored, and the developing agent used for TLC monitoring was ethyl acetate and petroleum ether in volume ratio Mix the solution after 1: 3;After monitoring the reaction, the three-necked flask was cooled to room temperature and the pH of the solution in the flask was adjusted to 2 by the addition of concentrated HCl.The solution obtained in Step 3) is poured into water, and after the white solid has been precipitated, it is subjected to suction filtration, washed and dried;The dried product was recrystallized using an absolute ethanol solution to give N-carboxymethylcarbazole.yield were 87percent,
Computed Properties
Molecular Weight:225.24
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.078978594
Monoisotopic Mass:225.078978594
Topological Polar Surface Area:42.2
Heavy Atom Count:17
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of CARBAZOL-9-YL-ACETICACID
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