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(2S)-(+)-2-Methylglycidyl 4-nitrobenzoate - 98%, high purity , CAS No.118200-96-7

COA

Grade & Purity:

≥98%

Cas Number: 118200-96-7
Molecular Weight: 237.21
MDL number: MFCD00064535
PubChem CID: 147239

In stock

Item Number

S472215

Grouped product items
SKU	Size	Availability	Price	Qty
S472215-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90

Basic Description

Synonyms	(2S)-(+)-2-Methylglycidyl 4-nitrobenzoate, 98% \| 2-Methyloxiranemethanol 4-nitrobenzoate (2S)- \| SCHEMBL3899546 \| (2S)-(+)-(2,3-Epoxy-2-methylpropylester)-4-nitrobenzoate \| DTXSID60152039 \| Oxiranemethanol, 2-methyl-, 4-nitrobenzoate, (2S)- \| PUBTVFBOTFDP
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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

IUPAC Name	[(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate
INCHI	InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m1/s1
InChIKey	PUBTVFBOTFDPTA-LLVKDONJSA-N
Smiles	CC1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	C[C@]1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
WGK Germany	3
RTECS	RR0510320
PubChem CID	147239
Molecular Weight	237.21

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	237.210 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	237.064 Da
Monoisotopic Mass	237.064 Da
Topological Polar Surface Area	84.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	318.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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