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

COA

Grade & Purity:

≥97%

Cas Number: 42855-00-5
Molecular Weight: 275.64
Beilstein Registry Number: 2389170
PubChem CID: 3084878
PubChem SID: 504762444

In stock

Item Number

D170323

Grouped product items
SKU	Size	Availability	Price	Qty
D170323-250mg	250mg	3	$39.90
D170323-1g	1g	3	$120.90

Basic Description

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,
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Names and Identifiers

Pubchem Sid	504762444
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762444
IUPAC Name	(4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate
INCHI	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
InChIKey	RWWPKIOWBQFXEE-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
Isomeric SMILES	COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
WGK Germany	3
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
A22071106	Certificate of Analysis	Dec 24, 2021	D170323
A2207811	Certificate of Analysis	Dec 24, 2021	D170323

Chemical and Physical Properties

Solubility	Soluble in methanol, acetone. Reacts with water.
Sensitivity	Light & Moisture Sensitive
Melt Point(°C)	125 °C
Molecular Weight	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 Å²
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

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