4,5-Dimethoxy-2-nitrobenzyl chloroformate - ≥97% , CAS No.42855-00-5

CAS: 42855-00-5 Cat. No.: D170323 Formule: C₁₀H₁₀ClNO₆ Poids moléculaire: 275.64 Beilstein Registry Number: 2389170 Numéro CE: 628-811-0

GRADE & PURITY ≥97%

Synonyms

((Nitroveratryl)oxy)chlorocarbamate | FT-0621284 | A872805 | Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester | 6-Nitroveratryl chloroformate | SCHEMBL874473 | DTXSID70195538 | RWWPKIOWBQFXEE-UHFFFAOYSA-N | 6-NITROVERATRYLCHLOROFORMATE | 4,

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4,5-Dimethoxy-2-nitrobenzyl chloroformate is a photolabile protecting reagent, commonly used in peptide or nucleotide synthesis to protect amines and hydroxyl groups.
General applications are:
• Preparation of inactive, caged protein conjugates which can be activated by irradiating near-ultraviolet light.
• Solid-phase synthesis of base-sensitive S-acylthioethyl (SATE)-prooligonucleotides.
• Modification of surface properties by introducing photocleavable NVOC moiety into chitosan to control cell attachment.

Specifications

Synonymes

((Nitroveratryl)oxy)chlorocarbamate | FT-0621284 | A872805 | Carbonochloridic acid,(4,5-dimethoxy-2-nitrophenyl)methyl ester | 6-Nitroveratryl chloroformate | SCHEMBL874473 | DTXSID70195538 | RWWPKIOWBQFXEE-UHFFFAOYSA-N | 6-NITROVERATRYLCHLOROFORMATE | 4,

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504762444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762444
• Sourires canoniques: COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
• IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate
• InChIKey: RWWPKIOWBQFXEE-UHFFFAOYSA-N
• INCHI: 1S/C10H10ClNO6/c1-16-8-3-6(5-18-10(11)13)7(12(14)15)4-9(8)17-2/h3-4H,5H2,1-2H3
• Isomères SMILES: COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
• WGK Allemagne: 3
• Poids moléculaire: 275.64
• Beilstein: 2389170
• Reaxy-Rn: 2389168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2389168&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Benzyloxycarbonyls Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organochlorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Benzyloxycarbonyl - O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol, acetone. Reacts with water.
• Sensibilité: Light & Moisture Sensitive
• Point de fusion (°C): 125 °C
• Poids moléculaire: 275.640 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 275.02 Da
• Monoisotopic Mass: 275.02 Da
• Topological Polar Surface Area: 90.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 307.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 42855-00-5, the molecular formula is C10H10ClNO6, and the molecular weight is 275.64 g/mol. InChIKey RWWPKIOWBQFXEE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.