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2-Anilinobenzoic acid methyl ester is a chemical compound with the molecular formula C14H13NO2. It is an ester derivative of benzoic acid, featuring a methyl group attached to the carboxyl group and an anilino group, which consists of an aniline ring with a benzene ring attached. This versatile molecule is widely recognized for its applications in organic synthesis and pharmaceutical research, where it serves as a key building block for the development of pharmaceutical compounds and dyes.

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  • 35708-19-1 Structure
  • Basic information

    1. Product Name: 2-Anilinobenzoic acid methyl ester
    2. Synonyms: 2-(Phenylamino)benzoic acid methyl ester;2-Anilinobenzoic acid methyl ester;Benzoic acid, 2-(phenylaMino)-, Methyl ester;methyl 2-(phenylamino)benzoate
    3. CAS NO:35708-19-1
    4. Molecular Formula: C14H13NO2
    5. Molecular Weight: 227.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 35708-19-1.mol
  • Chemical Properties

    1. Melting Point: 58-59 °C
    2. Boiling Point: 140 °C(Press: 0.1 Torr)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.175±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: -1.27±0.20(Predicted)
    10. CAS DataBase Reference: 2-Anilinobenzoic acid methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Anilinobenzoic acid methyl ester(35708-19-1)
    12. EPA Substance Registry System: 2-Anilinobenzoic acid methyl ester(35708-19-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 35708-19-1(Hazardous Substances Data)

35708-19-1 Usage

Uses

Used in Pharmaceutical Research and Organic Synthesis:
2-Anilinobenzoic acid methyl ester is utilized as a building block for the preparation of various pharmaceutical compounds and dyes. Its unique structure allows it to be a valuable component in the creation of a wide range of products, contributing to its significance in the chemical industry.
Used in Fragrance Production:
In the fragrance industry, 2-Anilinobenzoic acid methyl ester is employed for its aromatic properties, playing a role in the development of various scented products.
Used in Industrial Applications:
Beyond its roles in pharmaceuticals and fragrances, 2-Anilinobenzoic acid methyl ester also finds use in other industrial applications, further highlighting its versatility and importance as an intermediate in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 35708-19-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,5,7,0 and 8 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 35708-19:
(7*3)+(6*5)+(5*7)+(4*0)+(3*8)+(2*1)+(1*9)=121
121 % 10 = 1
So 35708-19-1 is a valid CAS Registry Number.

35708-19-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-anilinobenzoate

1.2 Other means of identification

Product number -
Other names 2-Anilinobenzoic acid methyl ester

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:35708-19-1 SDS

35708-19-1Relevant articles and documents

Bridging Small Molecules to Conjugated Polymers: Efficient Thermally Activated Delayed Fluorescence with a Methyl-Substituted Phenylene Linker

Rao, Jiancheng,Liu, Xinrui,Li, Xuefei,Yang, Liuqing,Zhao, Lei,Wang, Shumeng,Ding, Junqiao,Wang, Lixiang

, p. 1320 - 1326 (2020)

Based on a “TADF + Linker” strategy (TADF=thermally activated delayed fluorescence), demonstrated here is the successful construction of conjugated polymers that allow highly efficient delayed fluorescence. Small molecular TADF blocks are linked together

Anthraquinone-based intramolecular charge-transfer compounds: Computational molecular design, thermally activated delayed fluorescence, and highly efficient red electroluminescence

Zhang, Qisheng,Kuwabara, Hirokazu,Potscavage, William J.,Huang, Shuping,Hatae, Yasuhiro,Shibata, Takumi,Adachi, Chihaya

, p. 18070 - 18081 (2014)

Red fluorescent molecules suffer from large, non-radiative internal conversion rates (kIC) governed by the energy gap law. To design efficient red thermally activated delayed fluorescence (TADF) emitters for organic light-emitting diodes (OLEDs), a large fluorescence rate (kF) as well as a small energy difference between the lowest singlet and triplet excited states (ΔEST) is necessary. Herein, we demonstrated that increasing the distance between donor (D) and acceptor (A) in intramolecular-charge-transfer molecules is a promising strategy for simultaneously achieving small ΔEST and large kF. Four D-Ph-A-Ph-D-type molecules with an anthraquinone acceptor, phenyl (Ph) bridge, and various donors were designed, synthesized, and compared with corresponding D-A-D-type molecules. Yellow to red TADF was observed from all of them. The kF and ΔEST values determined from the measurements of quantum yield and lifetime of the fluorescence and TADF components are in good agreement with those predicted by corrected time-dependent density functional theory and are approximatively proportional to the square of the cosine of the theoretical twisting angles between each subunit. However, the introduction of a Ph-bridge was found to enhance kF without increasing ΔEST. Molecular simulation revealed a twisting and stretching motion of the N-C bond in the D-A-type molecules, which is thought to lower ΔEST and kF but raise kIC, that was experimentally confirmed in both solution and doped film. OLEDs containing D-Ph-A-Ph-D-type molecules with diphenylamine and bis(4-biphenyl)amine donors demonstrated maximum external quantum efficiencies of 12.5% and 9.0% with emission peaks at 624 and 637 nm, respectively.

Carbazole derivatives and organoelectro luminescent device using the same

-

Paragraph 0366-0372, (2020/11/28)

PURPOSE: A carbazole derivative is provided to drive an organic electroluminescent device at low voltage and to improve brightness when the derivative is used in an organic layer of the organic electroluminescent device, thereby improving economic efficiency. CONSTITUTION: A carbazole derivative is denoted by chemical formula 1. An organic electroluminescent device comprises a first electrode, a second electrode, and one or more organic layers between the first and second electrodes. The organic layers contain the carbazole derivative of chemical formula 1. The organic layers are selected among a hole injection layer, a hole transport layer, a functional layer with hole injecting and transporting functions, a light emitting layer, an electrode transport layer, and an electron injection layer. The light emitting layer contains one or more host compounds and one or more dopant compounds. The host compound is a carbazole derivative of chemical formula 1.

Heterocyclic com pounds and organic light-emitting diode including the same

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Paragraph 0444-0450, (2021/01/29)

The present invention relates to a novel heterocyclic compound and an organic electroluminescent device comprising the same. The heterocyclic compound is represented by the following Chemical Formula 1, and the organic electroluminescent device including the heterocyclic compound has excellent driving voltage, luminous efficiency, and lifespan properties. Chemical Formula 1. (by machine translation)

An electroluminescent compound and an electroluminescent device comprising the same

-

Paragraph 0273; 0280-0285, (2020/12/16)

The present invention relates to an organic luminescent compound represented by chemical formula 1 and an organic electroluminescent device including the same. The organic luminescent compound according to the present invention has excellent luminous efficiency and lifetime properties of material, and thus, enables the manufacturing of an organic electroluminescent device having excellent luminous efficiency while having power efficiency and long lifetime properties. [Chemical formula 1].

Novel organic compounds for organic light-emitting diode and organic light-emitting diode including the same

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Paragraph 0354; 0380-0384, (2020/08/29)

The present invention relates to an organic light emitting compound represented by formula A and an organic light emitting diode including the same. Substituents A1 to A4, R1 to R17, X, Y, a, b, m, n, p, L1, and L2 are identical to as defined in the detailed description.

Deuterated organic compounds for organic light-emitting diode and organic light-emitting diode including the same

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Paragraph 0662; 0693-0697, (2020/12/15)

The present invention relates to an organic electroluminescent compound represented by chemical formula A and an organic light emitting device comprising the same. Substituents Y, Ar2 , L3 , K, p and x are as defined in the description of the invention. [Chemical A] (by machine translation)

Photoelectric conversion element, imaging device, optical sensor, and method of using photoelectric conversion element

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Page/Page column 96-97, (2020/02/29)

The present invention provides a photoelectric conversion element having a photoelectric conversion film which exhibits excellent photoelectric conversion efficiency and responsiveness, an imaging device, an optical sensor, and a method of using a photoelectric conversion element. In the photoelectric conversion element of the invention, a photoelectric conversion material contains at least one selected from the group consisting of a compound represented by General formula (1), a compound represented by General formula (2), and a compound represented by General formula (3).

Thermally-activated delayed fluorescence material and preparation method and application thereof

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Paragraph 0017; 0037-0040, (2020/11/12)

The invention relates to a thermally-activated delayed fluorescence material and a preparation method and application thereof. The energy level difference between the singlet state and the triplet states of the thermally-activated delayed fluorescence material is small, so the thermally-activated delayed fluorescence material can be used as an organic light-emitting layer material of an OLED device and can improve the efficiency of the device. The fluorescence material has a molecular structural formula as described in the specification. In the molecular structural formula, R is selected frommethyl, ethyl, propyl, butyl and amyl groups.

Heterocyclic compound and organic light emitting device including the same

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Paragraph 0521-0525, (2020/07/15)

Provided are a heterocyclic compound and an organic light-emitting device including the same. The heterocyclic compound may be represented by Formula 1: in the Formula 1, A1, X2, Y1, Y2, m1, m2, R10,R20, R30, b10, b20 and b30 are same as described in the description.

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