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1-(3-NITRO-PHENYL)-ETHANOL - 98%, high purity , CAS No.5400-78-2

COA

Grade & Purity:

≥98%

Cas Number: 5400-78-2
Molecular Weight: 167.166
PubChem CID: 223135
PubChem SID: 488188724

In stock

Item Number

N170883

Grouped product items
SKU	Size	Availability	Price
N170883-25mg	25mg	5	$9.90
N170883-1g	1g	5	$28.90
N170883-5g	5g	2	$81.90
N170883-10g	10g	2	$137.90
N170883-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$310.90
N170883-100g	100g	1	$1,116.90

Basic Description

Synonyms	1-(3-nitrophenyl)ethanol \| 5400-78-2 \| 1-(3-nitrophenyl)ethan-1-ol \| 1-(3-NIitrophenyl)ethanol \| MFCD00053608 \| METHYL M-NITROPHENYL CARBINOL \| MFCD18339582 \| NSC10385 \| 3-nitrophenylethanol \| 3-nitrophenyl ethanol \| 1-(m-nitrophenyl)ethanol \| 1-(3-nitrophenyl)-ethanol \| 1-(3-ni
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Nitroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Organic nitro compound - Secondary alcohol - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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	488188724
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188724
IUPAC Name	1-(3-nitrophenyl)ethanol
INCHI	InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3
InChIKey	FRPQAVXDUWMFCK-UHFFFAOYSA-N
Smiles	CC(C1=CC(=CC=C1)[N+](=O)[O-])O
Isomeric SMILES	CC(C1=CC(=CC=C1)[N+](=O)[O-])O
Molecular Weight	167.166
Reaxy-Rn	1947378
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947378&ln=

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

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

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
A23311122	Certificate of Analysis	Dec 01, 2022	N170883
A23311140	Certificate of Analysis	Dec 01, 2022	N170883
A23311148	Certificate of Analysis	Dec 01, 2022	N170883
A23311149	Certificate of Analysis	Dec 01, 2022	N170883
A23311141	Certificate of Analysis	Dec 01, 2022	N170883
A23311150	Certificate of Analysis	Dec 01, 2022	N170883
A23311133	Certificate of Analysis	Dec 01, 2022	N170883
A23311132	Certificate of Analysis	Dec 01, 2022	N170883
A23311151	Certificate of Analysis	Dec 01, 2022	N170883
A23311145	Certificate of Analysis	Dec 01, 2022	N170883
A23311146	Certificate of Analysis	Dec 01, 2022	N170883
A23311147	Certificate of Analysis	Dec 01, 2022	N170883

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Chemical and Physical Properties

Molecular Weight	167.160 g/mol
XLogP3	1.600
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	1
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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