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2539-13-1

Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-, also known as 1,2,3-Trichloro-4,5,6-trimethoxybenzene, is an organic compound with the chemical formula C9H9Cl3O3. It is a derivative of benzene, featuring three chlorine atoms at the 1, 2, and 3 positions, and three methoxy groups at the 4, 5, and 6 positions. Benzene, 1,2,3-trichloro-4,5,6-trimethoxy- is characterized by its unique structure, which contributes to its specific chemical properties and potential applications in various fields, such as pharmaceuticals and chemical research. Due to its halogenated and ether-like nature, it may exhibit different reactivity and solubility compared to other benzene derivatives.

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  • 2539-13-1 Structure

  • Basic information

    1. Product Name: Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-
    2. Synonyms: Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-
    3. CAS NO:2539-13-1
    4. Molecular Formula: C9H9Cl3O3
    5. Molecular Weight: 271.52
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2539-13-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 319.3°Cat760mmHg
    3. Flash Point: 119.2°C
    4. Appearance: /
    5. Density: 1.376g/cm3
    6. Vapor Pressure: 0.000638mmHg at 25°C
    7. Refractive Index: 1.53
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-(2539-13-1)
    12. EPA Substance Registry System: Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-(2539-13-1)

  • 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: 2539-13-1(Hazardous Substances Data)

2539-13-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2539-13-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,3 and 9 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2539-13:
(6*2)+(5*5)+(4*3)+(3*9)+(2*1)+(1*3)=81
81 % 10 = 1
So 2539-13-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H9Cl3O3/c1-13-7-5(11)4(10)6(12)8(14-2)9(7)15-3/h1-3H3

2539-13-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-

1.2 Other means of identification

Product number -
Other names 4,5,6-trichloro-1H-benzoimidazole

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:2539-13-1 SDS

2539-13-1Downstream Products

2539-13-1Relevant articles and documents

Lanosta-8,17,25-trien-3β-ol and isomeric trichlorotrimethoxybenzenes from Fomes fastuosus

Jain, Subhash C.,Kumar, Ravindra,Gupta, Bhavna,Olsen, Carl E.

, p. 2200 - 2202 (2007/10/03)

Phytochemical investigation of the fungus, F. fastuosus has led to the isolation of a new triterpene, lanosta-8,17,25-trien-3β-ol 1 and two isomeric trichlorotrimethoxybenzenes, viz., 1,2,3-trichloro-4,5,6-trimethoxybenzene 2 and 1,2,4-trichloro-3,5,6-tri

13C and 17O NMR Study of Methoxy Groups in Chlorinated Di- and Trimethoxybenzenes

Knuutinen, J.,Kolehmainen, E.

, p. 315 - 317 (2007/10/02)

13C and 17O NMR data for the methoxy groups in isomeric 1,2-, 1,3- and 1,4-dimethoxybenzenes, 1,2,3-trimethoxybenzenes and most of their chlorinated derivatives and some related brominated compounds were measured for CDCl3 solutions.The 17O NMR chemical shifts show up to 60 ppm dispersion.Comparison between the compounds with and without adjacent chlorine atoms (2,6-di- and 2,4,6-trisubstitution) also showed a clear methoxy carbon chemical shift change.The number and position of the chlorine atoms in the aromatic ring give small but observable effects on the 17O NMR chemical shifts of the methoxy group if it is coplanar with the aromatic plane.Similarly, the degree and nature of the substitution have a minor effect (about 1 Hz) on the 1J(CH) direct coupling values.

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