4-Bromo-3,5-dimethylphenyl N-methylcarbamate(BDMC) - ≥98% , CAS No.672-99-1

CAS: 672-99-1 Cat. No.: B472578 Molecular Weight: 258.11 EC Number: 623-538-3

GRADE & PURITY ≥98%

Synonyms

(4-bromo-3,5-dimethylphenyl) N-methylcarbamate | 4-Bromo-3,5-dimethylphenyl N-methylcarbamate | 4-Bromo-3,5-Dimethylphenyl-N-Methylcarbamate | 4-Bromo-3,5-dimethylphenyl N-methylcarbamate, 98% | FT-0632779 | BDMC, analytical standard | AKOS015916182 | DTX

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

4-Bromo-3,5-dimethylphenylN-methylcarbamate (BDMC) may be employed as internal standard:for the quantification of carbamate pesticides in water samples using solid phase microextraction combined with gas chromatography-triple quadrupole mass spectrometryduring the LC-MS-MS analysis ofN-methyl carbamate pesticide residues in vegetables and grains

Specifications

Synonyms

(4-bromo-3, 5-dimethylphenyl) N-methylcarbamate | 4-Bromo-3, 5-dimethylphenyl N-methylcarbamate | 4-Bromo-3, 5-Dimethylphenyl-N-Methylcarbamate | 4-Bromo-3, 5-dimethylphenyl N-methylcarbamate, 98% | FT-0632779 | BDMC, analytical standard | AKOS015916182 | DTX

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=CC(=C1Br)C)OC(=O)NC
• IUPAC Name: (4-bromo-3,5-dimethylphenyl) N-methylcarbamate
• InChIKey: ZOZFMTULOYRWEL-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrNO2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,1-3H3,(H,12,13)
• Isomeric SMILES: CC1=CC(=CC(=C1Br)C)OC(=O)NC
• WGK Germany: 3
• Molecular Weight: 258.11
• Reaxy-Rn: 2273541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2273541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenyl methylcarbamates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenyl methylcarbamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl methylcarbamates
• Alternative Parents: m-Xylenes Phenoxy compounds Bromobenzenes Aryl bromides Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl methylcarbamate - Phenoxy compound - M-xylene - Xylene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 258.110 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 257.005 Da
• Monoisotopic Mass: 257.005 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Linrong Yu, Qingqian Meng, Mengshuang Li, Lei Tian, Xianggen Wu, Ying Jie.  (2024)  Heating-driven self-assembled glycyrrhizin nanomicelles loading bisdemethoxycurcumin: Preparation, characterization, and efficacy evaluation on experimental dry eye.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:39255746] [10.1016/j.colsurfb.2024.114206]