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3,3-bis[4-(dimethylamino)phenyl]phthalide, also known as crystal violet lactone, is a synthetic organic compound with a molecular formula of C31H30N2O3 and a molecular weight of 478.58 g/mol. It is characterized by its reversible blue to colorless reaction in the presence of acids or bases, making it a versatile chemical indicator.

5339-80-0

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5339-80-0 Usage

Uses

Used in Chemical Analysis:
3,3-bis[4-(dimethylamino)phenyl]phthalide is used as a colorimetric indicator for [application reason] its ability to change color in response to pH variations.
Used in Carbonless Copy Paper:
In the paper industry, 3,3-bis[4-(dimethylamino)phenyl]phthalide is used as a component of the color-forming reaction, enabling the transfer of information without the need for carbon paper.
Used in Research and Development:
3,3-bis[4-(dimethylamino)phenyl]phthalide is used as a potential component in the development of fluorescent probes and sensors for [application reason] its unique properties that allow for bioimaging and environmental monitoring applications.
Used in Environmental Monitoring:
3,3-bis[4-(dimethylamino)phenyl]phthalide is used as a component in the creation of sensors for [application reason] its ability to detect and indicate changes in environmental conditions.
Precaution:
Despite its wide range of applications, 3,3-bis[4-(dimethylamino)phenyl]phthalide is classified as a hazardous chemical, and appropriate safety measures should be taken when handling it to minimize health and environmental risks.

Check Digit Verification of cas no

The CAS Registry Mumber 5339-80-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,3 and 9 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5339-80:
(6*5)+(5*3)+(4*3)+(3*9)+(2*8)+(1*0)=100
100 % 10 = 0
So 5339-80-0 is a valid CAS Registry Number.
InChI:InChI=1/C24H24N2O2/c1-25(2)19-13-9-17(10-14-19)24(18-11-15-20(16-12-18)26(3)4)22-8-6-5-7-21(22)23(27)28-24/h5-16H,1-4H3

5339-80-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one

1.2 Other means of identification

Product number -
Other names 3,3-di-p-dimethylaminophenylphthalide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5339-80-0 SDS

5339-80-0Relevant academic research and scientific papers

Malachite green derivatives with double protein activation sites as well as synthesis method and application of malachite green derivatives

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Paragraph 0077-0082, (2021/06/12)

The invention relates to malachite green derivatives with double protein activation sites as well as a synthesis method and application of the malachite green derivatives. The structural formula of the malachite green derivative is shown as (I). The synthetic method has the advantages of high total yield, simple reaction conditions, convenience in operation, large-scale preparation, wide substrate selection range and the like. The derivative has the characteristic of two protein activation sites, and can be applied to the fields of fluorescence imaging, fluorescent probes, stimulation response materials and the like.

Visible responses under high pressure in crystals: phenolphthalein and its analogues with adjustable ring-opening threshold pressures

Deng, Xinyuan,Guo, Hongwei,Meng, Xiao,Wang, Kai,Zou, Bo,Ma, Yuguo

supporting information, p. 4663 - 4666 (2019/05/02)

The ring-opening reaction of phenolphthalein (PP) crystals under hydrostatic pressure provided by using a diamond anvil cell (DAC) is described in this paper for the first time. The color of the crystals changed into red from colorless visibly. The ring-opening threshold pressures could be adjusted by changing the substituent groups. Mechanochromic responses under hydrostatic pressure could also be achieved in polymer blends, which contributes to their practical applications.

A NOVEL REGIOSPECIFIC INTRAMOLECULAR CYCLOADDITION OF AN AROMATIC RING. MOLECULAR ORBITAL STUDY OF CONJUGATED KETENES THERMALLY GENERATED FROM SIX-MEMBERED α-MONOCARBONYL AZO-COMPOUNDS

Kuzuya, Masayuki,Miyake, Fumio,Okuda, Takachiyo

, p. 1471 - 1478 (2007/10/02)

When a methylene dichloride solution containing 4,4-diarylphthalazin-1(4H)-one (3) was warmed above -50 deg C, nitrogen extrusion occurred to result in the formation of the quinonoid ketene (19).The quinonoid ketene thus generated underwent a facile and regiospecific intramolecular ?4a + ?2a> cycloaddition with NN-dimethylaniline to afford a norcaradiene (22), followed by ring opening to an azulenone derivative (14).It was found, however, that this process takes place only with an aromatic ring bearing strong electron-donating substituents such as dialkylamino groups.FMO analyses based on the model system calculated by the CNDO/2 method showed that the dominant HOMO-LUMO interaction in the transition state should involve the HOMO of NN-dialkylaniline and LUMO of the quinonoid ketene.Thus, the in-plane ?*-orbital induces the orthogonal approach of the two components favouring an antarafacial pathway and the cyclisation is initiated by preferential bond formation between the central carbon of the ketene moiety and the para-carbon of NN-dialkylaniline to result in the formation of (22).

INVESTIGATION OF THE STRUCTURE OF 3,3-DIALKYL(ARYL)PHTHALIDES AND 3,3-DIALKYL(ARYL)THIOPHTHALIDES BY IR SPECTROSCOPY

Oparin, D. A.,Melent'eva, T. G.,Pavlova, L. A.

, p. 2149 - 2151 (2007/10/02)

In 3,3-dialkyl(aryl)phthalides and the corresponding thiophthalides the frequencies of the stretching vibrations of the carbonyl group correlate with the sum of the Taft ?* induction constants of the substituent at C3 of the heterocycle.The substitution of oxygen in the ring by sulfur substantially reduces the frequency of the carbonyl stretching vibrations.

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