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4-Methyl-3-nitrobenzyl alcohol - ＞96.0%, high purity , CAS No.40870-59-5

COA

Grade & Purity:

≥96%

Cas Number: 40870-59-5
Molecular Weight: 167.16
MDL number: MFCD00007177
PubChem CID: 123497
PubChem SID: 504756934

In stock

Item Number

M170213

Grouped product items
SKU	Size	Availability	Price
M170213-1g	1g	8	$16.90
M170213-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$63.90
M170213-10g	10g	7	$114.90
M170213-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$222.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	(4-Methyl-3-nitrophenyl)methanol # \| DTXSID80193843 \| AMY28198 \| EN300-156563 \| MFCD00007177 \| SCHEMBL715634 \| AKOS009158782 \| SY157732 \| M2916 \| (4-Methyl-3-nitrophenyl)methanol \| (4-Methyl-3-nitro-phenyl)-methanol \| s10877 \| 2-([(4-BROMOPHENYL)SULFONYL]
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4-Methyl-3-nitrobenzyl alcohol may be used in chemical synthesis.

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	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Benzyl alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Benzyl alcohol - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Aromatic alcohol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	504756934
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756934
IUPAC Name	(4-methyl-3-nitrophenyl)methanol
INCHI	InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
InChIKey	URCWIFSXDARYLY-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	167.16
Reaxy-Rn	2092506
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092506&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F1927199	Certificate of Analysis	Apr 14, 2023	M170213
F1927198	Certificate of Analysis	Apr 14, 2023	M170213
G2201287	Certificate of Analysis	Jun 01, 2022	M170213
G2201289	Certificate of Analysis	Jun 01, 2022	M170213
G2201283	Certificate of Analysis	Jun 01, 2022	M170213

Chemical and Physical Properties

Solubility	Soluble in Methanol
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	195 °C/20 mmHg
Melt Point(°C)	43 °C
Molecular Weight	167.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	167.058 Da
Monoisotopic Mass	167.058 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166.000
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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