Home Nitro Compounds 5460-31-1
5460-31-1,MFCD00007241
Catalog No.:AA003HJY
5460-31-1 | 2-Methyl-3-nitrophenol
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5g
98%
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$15.00
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10g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HJY
Chemical Name:
2-Methyl-3-nitrophenol
CAS Number:
5460-31-1
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00007241
IUPAC Name:
2-methyl-3-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3
InChI Key:
GAKLFAZBKQGUBO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)O
EC Number:
226-739-0
NSC Number:
25009
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
2-Methyl-3-nitrophenol 
5460-31-1 
2-Methyl-3-nitrophenol (3-Nitro-o-cresol) 
NSC25009 
EINECS 226-739-0 
NITROCRESOL 
zlchem 214 
PubChem2030 
ACMC-209lhr 
3-nitro-2-methylphenol 
AC1L2XOX 
AC1Q2ESW 
3-Nitro-o-cresol 
2-Methyl-3-nitrophenol. 
2-hydroxy-6-nitro toluene 
3-NITRO-ORTHO-CRESOL 
KSC271K8T 
SCHEMBL309952 
PHE034 
2-Methyl-3-nitrophenol, 98% 
CTK1H1589 
TIMTEC-BB SBB008485 
DTXSID00203034 
2-Hydroxy-6-nitrotoluene 
ZLC0020 
BUTTPARK 52\11-30 
ZINC163570 
ACN-S003436 
ACT00609 
KS-00000EN2 
ANW-32125 
BBL103475 
CM-088 
NSC-25009 
Phenol, 2-methyl-3-nitro- 
RW4106 
SBB008485 
STL557285 
AKOS009157677 
AC-3026 
AN-2573 
AS00187 
FR-2158 
LS11806 
MCULE-6960469480 
2-methyl-3-nitro-phenol 
PS-4519 
RP21688 
RTC-060687 
TRA0073579 
AJ-16048 
AK-23641 
BP-20384 
BR-23641 
CJ-02092 
SC-05242 
6-Hydroxy-2-nitrotoluene 
SY003601 
ZB008006 
AB0010590 
DB-014132 
TC-060687 
TL8003577 
2-Hydroxy-6-nitrotoluene; 3-Nitro-o-cresol 
AM20040685 
CS-0000004 
FT-0612571 
MFCD00007241 
N0627 
ST24022321 
ST50827980 
EN300-41529 
MFCD00007241 (98%) 
A19936 
M-7303 
I01-3913 
J-509959 
S01-0175 
3-NITRO-2-METHYL PHENOL 
Z1250132354 
InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H 
C7H7NO3 
C7-H7-N-O3 
CID79579 
3-(Cyclopropylmethoxy)phenylboronic acid 
2-Methyl-3-nitrophenol, 98% - 1G 1g 
GAKLFAZBKQGUBO-UHFFFAOYSA-N 
Literature

Title: Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

Title: Spatial and geographical variations of urban, suburban and rural atmospheric concentrations of phenols and nitrophenols.

Journal: Environmental science and pollution research international 20060301

Title: Difficult macrocyclizations: new strategies for synthesizing highly strained cyclic tetrapeptides.

Journal: Organic letters 20030724

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