Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate

Basic Information

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CAS Number

144171-61-9

Molecular Formula

C22H17ClF3N3O7

Molecular Weight

527.84 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Cryst.

Melting Point

139-141℃

Density

1.53

SMILES

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COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl

InChI

InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3

InChIKey

VBCVPMMZEGZULK-UHFFFAOYSA-N

LogP

4.093300000000004

Topological Polar Surface Area

106.96999999999998 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

912

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 orally in rat: >5000 mg/kg; dermally in rabbit: >2000 mg/kg; LC50 in rat by inhalation: >2 mg/l; LC50 (96 hr) in bluegill sunfish, rainbow trout: >1.0, >0.5 mg/l (Harder)

Synonyms & References

English

J-007927
DTXCID1020801
A808186
Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
Indoxacarb, (+/-)-
Tox21_303872
methyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
CS-0012848
NCGC00164264-01
INDOXACARB (RS)-FORM [MI]
DPX-MP 062
DTXSID3040801
INDOXACARB, (R,S)-
NCGC00357134-01
Q27286608
FT-0631195
AKOS015895562
HY-B0834
Indeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-, methyl ester
SCHEMBL22074
Indoxacarb 10 microg/mL in Cyclohexane
CAS-144171-61-9
UNII-PKL1F8Y0FV
(+/-)-Indoxacarb
NS00002724
DPX-JW062
PKL1F8Y0FV
144171-61-9
(+-)-Indoxacarb
INDOXACARB, (RS)-
Methyl 7-chloro-2-((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate

MDL Number

MFCD03792834

Customs Code

2934999022

FAQ

What is Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate (CAS: 144171-61-9)?

Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate is a complex organic compound with the CAS number 144171-61-9. It belongs to the class of indeno[1,2-e][1,3,4]oxadiazine derivatives and contains functional groups such as chloro, methoxycarbonyl, and trifluoromethoxy. This compound is known for its potential pharmaceutical applications and is often studied for its biological activity.

What are the main uses of Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate (CAS: 144171-61-9)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It may be relevant in the treatment of various diseases due to its biological activity, including anti-inflammatory and antitumor properties. It is also used in chemical synthesis and as a building block for more complex molecules.

Is Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate (CAS: 144171-61-9) safe?

Safety data for this compound is limited, but as with many organic chemicals, it should be handled with care. Precautions include wearing protective gloves, goggles, and clothing to avoid skin or respiratory exposure. It is recommended to follow standard safety protocols for handling chemical substances during research and industrial applications.

How should Methyl 7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate (CAS: 144171-61-9) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to maintain stability. Storage conditions should be controlled to prevent degradation, and it should be handled in accordance with chemical storage guidelines to ensure safety and longevity.