Home Halogens Benzene, 1-(bromomethyl)-4-nitro-

Benzene, 1-(bromomethyl)-4-nitro-

CAS No.:
100-11-8
Catalog Number:
AG00005X
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320

SDS

Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
in stock
United States
$36
- +
25g
98%
in stock
United States
$60
- +
100g
98%
in stock
United States
$144
- +
250g
98%
in stock
United States
$270
- +
Product Description
Catalog Number:
AG00005X
Chemical Name:
Benzene, 1-(bromomethyl)-4-nitro-
CAS Number:
100-11-8
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00007373
IUPAC Name:
1-(bromomethyl)-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChI Key:
VOLRSQPSJGXRNJ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-820-6
UNII:
QCHRSPCHUE
NSC Number:
4609
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study. Toxicology in vitro : an international journal published in association with BIBRA 20160401
Dual regulation of skin sensitizer-induced HMOX1 expression by Bach1 and Nrf2: Comparison to regulation of the AKR1C2-ARE element in the KeratinoSens cell line. Toxicology and applied pharmacology 20151101
Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay. Toxicology in vitro : an international journal published in association with BIBRA 20150601
Development of a new in vitro skin sensitization assay (Epidermal Sensitization Assay; EpiSensA) using reconstructed human epidermis. Toxicology in vitro : an international journal published in association with BIBRA 20131201
NCTC 2544 and IL-18 production: a tool for the identification of contact allergens. Toxicology in vitro : an international journal published in association with BIBRA 20130401
Development of an in vitro dendritic cell-based test for skin sensitizer identification. Chemical research in toxicology 20130318
An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8. Toxicological sciences : an official journal of the Society of Toxicology 20111201
1,2-Bis(4-nitro-benz-yl)diselane. Acta crystallographica. Section E, Structure reports online 20110801
4-Meth-oxy-3-(4-nitro-benz-yloxy)benzaldehyde. Acta crystallographica. Section E, Structure reports online 20110601
Electrochemical immobilization of a benzylic film through the reduction of benzyl halide derivatives: deposition onto highly ordered pyrolytic graphite. Langmuir : the ACS journal of surfaces and colloids 20110419
The intra- and inter-laboratory reproducibility and predictivity of the KeratinoSens assay to predict skin sensitizers in vitro: results of a ring-study in five laboratories. Toxicology in vitro : an international journal published in association with BIBRA 20110401
Synthesis of zwitterionic salts of pyridinium-Meldrum acid and barbiturate through unique four-component reactions. Journal of combinatorial chemistry 20100308
Diastereoselective synthesis of trans-2,3-dihydrofurans with pyridinium ylide assisted tandem reaction. The Journal of organic chemistry 20091002
8-(4-Nitro-benz-yloxy)quinoline. Acta crystallographica. Section E, Structure reports online 20090901
Use of IL-18 production in a human keratinocyte cell line to discriminate contact sensitizers from irritants and low molecular weight respiratory allergens. Toxicology in vitro : an international journal published in association with BIBRA 20090801
[I(KACh) inhibitor 2-[(4-methylphenyl)sulfonylcarbamido]-1-(4-nitrobenzyl)pyridinium bromide (2-AP27) is a muscarinic M(2) receptor antagonist]. Medicina (Kaunas, Lithuania) 20090101
3-Methoxy-4-(4-nitro-benz-yloxy)-benzaldehyde. Acta crystallographica. Section E, Structure reports online 20081201
Procedure for increasing the detection responses of estrogens in LC-MS based on introduction of a nitrobenzene moiety followed by electron capture atmospheric pressure chemical ionization. Analytical and bioanalytical chemistry 20061001
[Effects of ATP-regulated potassium channels modulators, N-(2-pyridyl)-N'-(4-toluol) sulfonylcarbamides, on electromechanical activity in guinea pig myocardium]. Medicina (Kaunas, Lithuania) 20060101
Synthesis of p, p'-divinylazobenzene. Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA 20030301
Properties