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100-14-1,MFCD00007374
Catalog No.:AA000032
100-14-1 | Benzene, 1-(chloromethyl)-4-nitro-
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5g
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25g
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100g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000032
Chemical Name:
Benzene, 1-(chloromethyl)-4-nitro-
CAS Number:
100-14-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007374
IUPAC Name:
1-(chloromethyl)-4-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChI Key:
KGCNHWXDPDPSBV-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-822-7
UNII:
3BLD9LVT3X
NSC Number:
9803
UN Number:
3261
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:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
4-nitrobenzyl chloride 
p-nitrobenzyl chloride 
alpha-Chloro-p-nitrotoluene 
|A-Chloro-4-nitrotoluene 
(p-nitrophenyl)chlorocarbene 
C7-H6-Cl-N-O2 
CID7482 
AR-1L8539 
c0229 
NA8027 
Benzene, 1-(chloromethyl)-4- nitro- 
BENZENE,1-(CHLOROMETHYL)-4-NITRO- 
4-Nitrobenzyl chloride, 99% - 100G 100g 
p-(Chloromethyl)nitrobenzene 
A16152 
C027562 
Benzene, 1-(chloromethyl)-4-nitro-; (p-Nitrobenzyl chloride) 
10050-86-9 
102146-13-4 
4-(Chloromethyl)nitrobenzene 
UNII-3BLD9LVT3X 
Benzyl chloride, 4-nitro- 
NSC 9803 
CCRIS 2325 
1-Chloromethyl-4-nitro-benzene 
Toluene, alpha-chloro-p-nitro- 
HSDB 6323 
para-nitrobenzyl chloride 
a-chloro-4-nitrotoluene 
Toluene, .alpha.-chloro-p-nitro- 
EINECS 202-822-7 
MFCD00007374 
3BLD9LVT3X 
4-nitrophenylmethyl chloride 
BENZENE, 1-CHLOROMETHYL-4-NITRO- 
.alpha.-Chloro-p-nitrotoluene 
4-Chloromethyl-1-nitrobenzene 
4-Nitrobenzyl chloride, 99% 
4-Nitrobenzyl chloride 
A-CHLORO-P-NITROTOLUENE 
CHEBI:87406 
KGCNHWXDPDPSBV-UHFFFAOYSA-N 
AKOS BBS-00003951 
4-(chloromethyl)-1-nitrobenzene 
4-nitrobenylchloride 
p-nitrobenzylchloride 
4-nitrobenzylchlorine 
PubChem7476 
p-Nitro benzylchloride 
100-14-1 
4-nitro-benzyl chloride 
AC1Q1XNQ 
p-nitrophenylmethylchloride 
DSSTox_CID_5745 
ACMC-2097mx 
AC1L1OV1 
AC1Q3U8G 
DSSTox_RID_77906 
DSSTox_GSID_25745 
SCHEMBL99564 
1-(Chloromethyl)-4-nitrobenzene 
KSC491E9H 
Toluene, alpha-chloro-p-nitro 
1(chloromethyl)-4-nitrobenzene 
CHEMBL176410 
Jsp000062 
NITROBENZYLCHLORIDE(4-) 
4-Nitrobenzyl chloride; >98% 
DTXSID4025745 
CTK3J1293 
KGCNHWXDPDPSBV-UHFFFAOYSA- 
p-Nitrobenzyl chloride 
TIMTEC-BB SBB040643 
1-(chloromethyl)-4-nitro-benzen 
NSC9803 
1-(chloromethyl)-4-nitro-benzene 
KS-00000WX7 
NSC-9803 
STR01366 
ZINC1700195 
Tox21_200572 
ANW-14167 
alpha-Chloro-4-nitrotoluene 
BBL019953 
LS-294 
SBB040643 
STL197851 
AKOS000119805 
AS02053 
MCULE-6391714364 
RP17417 
TRA0099149 
NCGC00248712-01 
4-Nitrobenzylchloride 
NCGC00258126-01 
AJ-30455 
CAS-100-14-1 
CJ-28687 
SC-75789 
AB1002393 
RT-000668 
FT-0619219 
ST24037595 
ST50214090 
Benzene, 1-(chloromethyl)-4-nitro- 
B-6207 
AE-562/40221400 
I01-2661 
W-108974 
F0001-0008 
InChI=1/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 
|A-chloro-p-nitrotoluene 
C7H6ClNO2 
para-nitrobenzyl chloride 
alpha-chlor-4-nitrotoluen 
Literature

Title: Characterization and functional analysis of four glutathione S-transferases from the migratory locust, Locusta migratoria.

Journal: PloS one 20130101

Title: Significance of xenobiotic metabolism for bioaccumulation kinetics of organic chemicals in Gammarus pulex.

Journal: Environmental science & technology 20120320

Title: Evaluation of hepatic glutathione transferase Mu 1 and Theta 1 activities in humans and mice using genotype information.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120301

Title: Acute toxicity of organic chemicals to Gammarus pulex correlates with sensitivity of Daphnia magna across most modes of action.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20110501

Title: Controlled synthesis of water-dispersible faceted crystalline copper nanoparticles and their catalytic properties.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100917

Title: Bioaccumulation kinetics of organic xenobiotic pollutants in the freshwater invertebrate Gammarus pulex modeled with prediction intervals.

Journal: Environmental toxicology and chemistry 20100701

Title: 1-Chloro-methyl-4-nitro-benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: Single-nucleotide polymorphic variants of human glutathione transferase T1-1 differ in stability and functional properties.

Journal: Archives of biochemistry and biophysics 20091001

Title: The characterization of cytosolic glutathione transferase from four species of sea turtles: loggerhead (Caretta caretta), green (Chelonia mydas), olive ridley (Lepidochelys olivacea), and hawksbill (Eretmochelys imbricata).

Journal: Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20090801

Title: Hepatic and branchial glutathione S-transferases of two fish species: substrate specificity and biotransformation of microcystin-LR.

Journal: Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20090501

Title: (Z)-1-(3-Nitro-phen-yl)-2-(4-nitro-phen-yl)ethene.

Journal: Acta crystallographica. Section E, Structure reports online 20080801

Title: The solvation of carbenes: π and O-ylidic complexes of p-nitrophenylchlorocarbene.

Journal: The journal of physical chemistry. A 20080522

Title: Short communication direct effect of Cd on glutathione S-transferase and glutathione reductase from Calystegia sepium.

Journal: International journal of phytoremediation 20070101

Title: Characterization of two Arabidopsis thaliana glutathione S-transferases.

Journal: Plant cell reports 20060901

Title: Purification and properties of the glutathione S-transferases from the anoxia-tolerant turtle, Trachemys scripta elegans.

Journal: The FEBS journal 20050701

Title: A new class of glutathione S-transferase from the hepatopancreas of the red sea bream Pagrus major.

Journal: The Biochemical journal 20050515

Title: Residue 234 in glutathione transferase T1-1 plays a pivotal role in the catalytic activity and the selectivity against alternative substrates.

Journal: The Biochemical journal 20050515

Title: Molecular cloning and characterization of alpha-class glutathione S-transferase genes from the hepatopancreas of red sea bream, Pagrus major.

Journal: Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20050101

Title: Identification and characterization of GSTT3, a third murine Theta class glutathione transferase.

Journal: The Biochemical journal 20020815

Title: An ensemble of theta class glutathione transferases with novel catalytic properties generated by stochastic recombination of fragments of two mammalian enzymes.

Journal: Journal of molecular biology 20020419

Title: Purification and characterization of a glutathione S-transferase from the fungus Cunninghamella elegans.

Journal: FEMS microbiology letters 20010925

Title: Purification and characterization of multiple glutathione S-transferase isozymes from Chironomidae larvae.

Journal: Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20010601

Title: Gene structure, expression and chromosomal localization of murine theta class glutathione transferase mGSTT1-1.

Journal: The Biochemical journal 19990101

Title: Theta, a new class of glutathione transferases purified from rat and man.

Journal: The Biochemical journal 19910301

Title: The purification and characterization of glutathione S-transferase from the hepatopancreas of the blue crab, Callinectes sapidus.

Journal: Archives of biochemistry and biophysics 19870601

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