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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO3
Molecular Weight 153.1354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-4-NITROPHENOL

SMILES

CC1=C(C=CC(O)=C1)[N+]([O-])=O

InChI

InChIKey=PIIZYNQECPTVEO-UHFFFAOYSA-N
InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3

HIDE SMILES / InChI

Molecular Formula C7H7NO3
Molecular Weight 153.1354
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Nitrophenols in precipitation.
2001 Jan
Different quantitation approaches for xenobiotics in human urine samples by liquid chromatography/electrospray tandem mass spectrometry.
2002
Enzyme-linked immunosorbent assay based on a polyclonal antibody for the detection of the insecticide fenitrothion. Evaluation of antiserum and application to the analysis of water samples.
2002 Jan 2
Impairment of testicular function in adult male Japanese quail (Coturnix japonica) after a single administration of 3-methyl-4-nitrophenol in diesel exhaust particles.
2006 Jun
Pairwise-substitution effects and intramolecular hydrogen bonds in nitrophenols and methylnitrophenols. Thermochemical measurements and ab initio calculations.
2007 Jul 19
Effects of 3-methyl-4-nitrophenol in diesel exhaust particles on the regulation of reproductive function in immature female Japanese quail (Coturnix japonica).
2007 Jun
Biosensor for direct determination of fenitrothion and EPN using recombinant Pseudomonas putida JS444 with surface-expressed organophosphorous hydrolase. 2. Modified carbon paste electrode.
2007 Mar
Effects of 3-methyl-4-nitrophenol in diesel exhaust particles on the regulation of testicular function in immature male rats.
2007 Mar-Apr
On-line Fourier transform infrared spectrometric detection in gradient capillary liquid chromatography using nanoliter-flow cells.
2009 May 15
Measurement of nitrophenols in rain and air by two-dimensional liquid chromatography-chemically active liquid core waveguide spectrometry.
2010 Jul 1
Reactivity of the insecticide fenitrothion toward O and N nucleophiles.
2010 May 21
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:20 GMT 2023
Edited
by admin
on Fri Dec 15 17:15:20 GMT 2023
Record UNII
2CC94832EU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-NITROPHENOL
Systematic Name English
NSC-69190
Code English
METHYL-4-NITROPHENOL, 3-
Systematic Name English
P-NITRO-M-METHYLPHENOL
Common Name English
M-CRESOL, 4-NITRO-
Systematic Name English
5-METHYL-4-NITROPHENOL
Systematic Name English
P-NITRO-M-CRESOL
Common Name English
PHENOL, 3-METHYL-4-NITRO-
Systematic Name English
2-NITRO-5-HYDROXYTOLUENE
Systematic Name English
4-NITRO-M-CRESOL
Systematic Name English
5-HYDROXY-2-NITROTOLUENE
Systematic Name English
4-NITRO-3-METHYLPHENOL
Systematic Name English
4-NITRO-5-METHYLPHENOL
Systematic Name English
Code System Code Type Description
CAS
2581-34-2
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
PUBCHEM
17412
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID2062535
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
FDA UNII
2CC94832EU
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
CHEBI
38683
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-952-5
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY
NSC
69190
Created by admin on Fri Dec 15 17:15:20 GMT 2023 , Edited by admin on Fri Dec 15 17:15:20 GMT 2023
PRIMARY