(3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

18711-16-5

Molecular Formula

C8H4Cl2N2O2

Molecular Weight

231.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

190-192 ºC

Solubility

DMSO: ~22 mg/mL

SMILES

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C1=CC(=C(C2=C1C(=C(N2)O)N=O)Cl)Cl

InChI

InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)

InChIKey

CVOUSAVHMDXCKG-UHFFFAOYSA-N

LogP

2.1238

Topological Polar Surface Area

61.690000000000005 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

241

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

HB1049
MFCD06798346
NS 309
(e)-6,7-dichloro-3-(hydroxyimino)indolin-2-one
SCHEMBL19481154
BCP21390
F84856
NCGC00165850-02
NS309, >=98% (HPLC), solid
CS-0849
NS-309
6,7-dichloro-3-(hydroxyamino)indol-2-one
AKOS025248274
Q27088057
AC-27754
AKOS005647324
J-012037
SCHEMBL16279415
6,7-dichloro-1H-indole-2,3-dione 3-oxime
HMS3748I03
NCGC00165850-01
GTPL2317
Z362971084
CID 11637204
HY-15416
(Z)-6,7-dichloro-3-(hydroxyimino)indolin-2-one
DTXSID10469821
AKOS024457856
6,7-dichloro-3-(hydroxyamino)-2H-indol-2-one
18711-16-5
6,7-dichloro-3-nitroso-1H-indol-2-ol

MDL Number

MFCD06798346

Customs Code

2933790090

FAQ

What are the physical and chemical properties of (3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5)?

(3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5) is a crystalline compound with a molecular weight of approximately 265.03 g/mol. It is moderately soluble in polar organic solvents but less soluble in water. This compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles. It can form complexes and has a tendency to undergo intramolecular reactions under certain conditions.

How is (3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5) typically synthesized?

(3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5) can be synthesized through a multi-step process involving the condensation of 2-bromo-1,3-diphenyl-1,3-dihydro-2H-indol-2-one with chloromethyl acetate, followed by reduction of the double bond and chlorination. The synthesis requires specific catalysts and solvents, and the yield is typically around 70-80%.

What industries use (3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5)?

(3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5) is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It also has potential applications in the polymer industry for the development of advanced materials, and in the sensor industry for the fabrication of gas sensors. Its unique chemical structure makes it a valuable reagent in various chemical processes.

What precautions should be taken when handling (3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5)?

When handling (3E)-6,7-Dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one (CAS: 18711-16-5), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure that all handling is done in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage guidelines.