Home Bromides 100-11-8
100-11-8,MFCD00007373
Catalog No.:AA000035
100-11-8 | Benzene, 1-(bromomethyl)-4-nitro-
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98%(GC)
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98%(GC)
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100g
98%(GC)
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  • Technical Information
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Technical Information
Catalog Number:
AA000035
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
Computed 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  

Synonyms
 
4-nitrobenzyl bromide 
p-nitrobenzyl bromide 
4-(Bromomethyl)nitrobenzene 
CJ-02138 
SC-00007 
ZB008150 
AB1002796 
DB-016183 
LS-154026 
ST2408603 
TR-000041 
AM20020060 
FT-0619217 
4-Nitrobenzylbromide 
FT-0619218 
N0181 
ST50214654 
A19507 
L-1229 
100471-EP2270008A1 
100471-EP2272817A1 
100471-EP2284157A1 
100471-EP2292617A1 
100471-EP2301939A1 
alpha-Bromoparanitrotoluene 
4-Nitrobenzyl bromide, purum, >=97.0% (HPLC) 
AP-065/41884110 
I01-0777 
W-108975 
F2190-0258 
InChI=1/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H 
Nitrobenzyl bromide 
C7H6BrNO2 
Nitro-p-benzyle bromure 
?-Bromo-4-nitrotoluene 
NSC 4609 
alpha-brom-4-nitrotoluen 
|A-Bromo-4-nitrotoluene 
C7-H6-Br-N-O2 
4-Nitrobenzyl bromide, 97% 25g 
CID66011 
4-Nitrobenzyl bromide, 99% - 100G 100g 
C027563 
19689-86-2 
MFCD00007373 
PARA-NITROBENZYLBROMIDE 
A-BROMO-P-NITROTOLUENE 
1-Bromomethyl-4-nitro-benzene 
QCHRSPCHUE 
CCRIS 7961 
4-Nitrobenzyl bromide 
Toluene, alpha-bromo-4-nitro- 
UNII-QCHRSPCHUE 
4-nitro benzyl bromide 
Toluene, .alpha.-bromo-p-nitro- 
4NBB 
EINECS 202-820-6 
.alpha.-Bromoparanitrotoluene 
.alpha.-Bromo-p-nitrotoluene 
NITROBENZYL-4 BROMIDE 
.alpha.-Bromo-4-nitrotoluene 
100-11-8 
4-Nitrobenzyl bromide, 99% 
AI3-08875 
Toluene, alpha-bromo-p-nitro- 
CHEBI:62822 
1-(bromomethyl)-4-nitro-benzene 
VOLRSQPSJGXRNJ-UHFFFAOYSA-N 
Toluene, .alpha.-bromo-4-nitro- 
4-(bromomethyl)-1-nitrobenzene 
p-nitrobenzylbromide 
4-nitrobenzylbrornide 
1-(Bromomethyl)-4-nitrobenzene 
4-Nitrobenyl bromide 
4-nitro benzylbromide 
PubChem7473 
p-nitro benzyl bromide 
p-Nitro-a-bromotoluene 
4-nitro-benzyl bromide 
p-bromomethylnitrobenzene 
para-Nitrobenzyl bromide 
4-nitro-benzyl bromide; 
para nitro benzyl bromide 
p-Nitrobenzyl bromide 
ACMC-1BSA2 
SCHEMBL439 
4-nitrophenylmethyl bromide 
1-bromomethyl4-nitrobenzene 
AC1Q1XN9 
DSSTox_CID_29351 
DSSTox_RID_83467 
DSSTox_GSID_49392 
1-bromomethyl-4-nitrobenzene 
KSC491E9J 
alpha-Bromo-4-nitrotoluene 
A-BROMO-4-NITROTOLUENE 
4-Nitrobenzyl bromide; >98% 
AC1L24F8 
AMBZ0160 
CHEMBL174047 
Jsp000060 
DTXSID7049392 
SCHEMBL13981949 
CTK3J1294 
TIMTEC-BB SBB041005 
Benzene, 1-(bromomethyl)-4-nitro- 
NSC4609 
ZINC164454 
1-(Bromomethyl)-4-nitrobenzene # 
ACT00372 
EBD11151 
NSC-4609 
STR01237 
AKOS BBS-00004545 
Tox21_202713 
ANW-14163 
alpha-Bromo-p-nitrotoluene 
BBL019632 
CX1172 
LABOTEST-BB LT02647720 
LABOTEST-BB LT03333690 
SBB041005 
STK397280 
AKOS000269732 
AS00716 
MCULE-5318696734 
RP17515 
p-(Bromomethyl)nitrobenzene 
RTR-000041 
TRA0041654 
KS-00000W08 
NCGC00260261-01 
AC-10995 
AJ-16163 
BC003251 
BC228029 
BP-23489 
CAS-100-11-8 
Literature

Title: SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20160401

Title: 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.

Journal: Toxicology and applied pharmacology 20151101

Title: Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20150601

Title: Development of a new in vitro skin sensitization assay (Epidermal Sensitization Assay; EpiSensA) using reconstructed human epidermis.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20131201

Title: NCTC 2544 and IL-18 production: a tool for the identification of contact allergens.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20130401

Title: Development of an in vitro dendritic cell-based test for skin sensitizer identification.

Journal: Chemical research in toxicology 20130318

Title: An in vitro test to screen skin sensitizers using a stable THP-1-derived IL-8 reporter cell line, THP-G8.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20111201

Title: 1,2-Bis(4-nitro-benz-yl)diselane.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: 4-Meth-oxy-3-(4-nitro-benz-yloxy)benzaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Electrochemical immobilization of a benzylic film through the reduction of benzyl halide derivatives: deposition onto highly ordered pyrolytic graphite.

Journal: Langmuir : the ACS journal of surfaces and colloids 20110419

Title: 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.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20110401

Title: Synthesis of zwitterionic salts of pyridinium-Meldrum acid and barbiturate through unique four-component reactions.

Journal: Journal of combinatorial chemistry 20100308

Title: Diastereoselective synthesis of trans-2,3-dihydrofurans with pyridinium ylide assisted tandem reaction.

Journal: The Journal of organic chemistry 20091002

Title: 8-(4-Nitro-benz-yloxy)quinoline.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Use of IL-18 production in a human keratinocyte cell line to discriminate contact sensitizers from irritants and low molecular weight respiratory allergens.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20090801

Title: [I(KACh) inhibitor 2-[(4-methylphenyl)sulfonylcarbamido]-1-(4-nitrobenzyl)pyridinium bromide (2-AP27) is a muscarinic M(2) receptor antagonist].

Journal: Medicina (Kaunas, Lithuania) 20090101

Title: 3-Methoxy-4-(4-nitro-benz-yloxy)-benzaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: 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.

Journal: Analytical and bioanalytical chemistry 20061001

Title: [Effects of ATP-regulated potassium channels modulators, N-(2-pyridyl)-N'-(4-toluol) sulfonylcarbamides, on electromechanical activity in guinea pig myocardium].

Journal: Medicina (Kaunas, Lithuania) 20060101

Title: Synthesis of p, p'-divinylazobenzene.

Journal: Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA 20030301

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