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Home Nitro Compounds 100-29-8
100-29-8,MFCD00007330
Catalog No.:AA00003U
100-29-8 | Benzene, 1-ethoxy-4-nitro-
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1g
98%(GC)
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$45.00   $32.00
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25g
>98.0%(GC)
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$63.00   $44.00
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Technical Information
Catalog Number:
AA00003U
Chemical Name:
Benzene, 1-ethoxy-4-nitro-
CAS Number:
100-29-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007330
IUPAC Name:
1-ethoxy-4-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChI Key:
NWPKEYHUZKMWKJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-837-9
UNII:
O0A69I1MCU
NSC Number:
9812
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1-ethyl-4-nitrophenyl ether 
4-nitrophenetol 
Phenetole, p-nitro- 
Benzene, 1-ethoxy-4-nitro- 
p-Ethoxynitrobenzene 
4-Ethoxynitrobenzene 
Ethyl p-nitrophenyl ether 
4-Nitrophenetol 
p-Nitrophenetol [German] 
UNII-O0A69I1MCU 
NSC 9812 
CCRIS 2333 
p-nitrophenetol 
HSDB 5333 
EINECS 202-837-9 
1-ethoxy-4-nitro-benzene 
BRN 0972473 
O0A69I1MCU 
AI3-00233 
NWPKEYHUZKMWKJ-UHFFFAOYSA-N 
PubChem3190 
4-ethoxy-1-nitrobenzene 
ACMC-1BQZ9 
p-nitrophenetole 
DSSTox_CID_6655 
WLN: WNR DO2 
AC1L1OW1 
Benzene,1-ethoxy-4-nitro- 
DSSTox_RID_78176 
DSSTox_GSID_26655 
SCHEMBL45896 
4-06-00-01283 (Beilstein Handbook Reference) 
Phenetole, p-nitro- (8CI) 
CHEMBL3182742 
para-nitrophenetol 
DTXSID7026655 
CTK3J8741 
NSC9812 
NSC-9812 
ZINC1700199 
Tox21_200729 
8076AF 
ANW-14212 
MFCD00007330 
SBB058653 
4-NITROPHENETOLE 
AKOS002685528 
MCULE-1766475730 
NCGC00248812-01 
NCGC00258283-01 
AJ-30458 
CAS-100-29-8 
CJ-28691 
LS-30334 
TC-102957 
N0216 
1-Ethoxy-4-nitrobenzene 
ST50405193 
A800088 
I01-5242 
InChI=1/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H 
4-Nitrophntole 
Nitrobenzene, 4-ethoxy- 
C8H9NO3 
CID7495 
C8-H9-N-O3 
p-Nitrophenetole 
100-29-8 
p-Nitrophenetol 
Literature

Title: A high-throughput screen for directed evolution of the natural product sulfotransferase LipB.

Journal: Journal of biomolecular screening 20110901

Title: Metabolic engineering of Pseudomonas putida for the utilization of parathion as a carbon and energy source.

Journal: Biotechnology and bioengineering 20020630

Title: Binding and oxidation of alkyl 4-nitrophenyl ethers by rabbit cytochrome P450 1A2: evidence for two binding sites.

Journal: Biochemistry 20010619

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