Home Halogens 4,4'-Methylene bis(2-chloroaniline)

4,4'-Methylene bis(2-chloroaniline)

CAS No.:
101-14-4
Catalog Number:
AG0032AC
Molecular Formula:
C13H12Cl2N2
Molecular Weight:
267.1538
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
90%
In Stock USA
United States
$39
- +
25g
90%
In Stock USA
United States
$60
- +
100g
90%
In Stock USA
United States
$112
- +
Product Description
Catalog Number:
AG0032AC
Chemical Name:
4,4'-Methylene bis(2-chloroaniline)
CAS Number:
101-14-4
Molecular Formula:
C13H12Cl2N2
Molecular Weight:
267.1538
MDL Number:
MFCD00047829
IUPAC Name:
4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
InChI:
InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
InChI Key:
IBOFVQJTBBUKMU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N
EC Number:
202-918-9
UNII:
3L2W5VTT2A
NSC Number:
52954
RTECS Number:
CY1050000
UN Number:
3077
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.153g/mol
Monoisotopic Mass:
266.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Role of N-acetyltransferase 2 acetylation polymorphism in 4, 4'-methylene bis (2-chloroaniline) biotransformation. Toxicology letters 20180201
Oxidative Stress Mechanisms Do Not Discriminate between Genotoxic and Nongenotoxic Liver Carcinogens. Chemical research in toxicology 20150817
A follow up study of occupational exposure to 4,4'-methylene-bis(2-chloroaniline) (MbOCA) and isocyanates in polyurethane manufacture in the UK. Toxicology letters 20120813
Effect of ionic liquid on the determination of aromatic amines as contaminants in hair dyes by liquid chromatography coupled to electrochemical detection. Molecules (Basel, Switzerland) 20120702
New approaches to extraction techniques in determination of 4,4'-methylenebis(2-chloroaniline) in air and water solutions. Talanta 20120515
Bladder cancer, a review of the environmental risk factors. Environmental health : a global access science source 20120101
A new method for the determination of 2,2'-dichloro-4,4'-methylenedianiline in workplace air samples by HPLC-DAD. Toxicology mechanisms and methods 20110901
4,4'-Methylenebis(2-chloroaniline). Report on carcinogens : carcinogen profiles 20110101
Cancer incidence and exposure to 4,4'-methylene-bis-ortho-chloroaniline (MbOCA). Occupational medicine (Oxford, England) 20090901
A survey of occupational exposure to 4,4'-methylene-bis (2-chloroaniline) (MbOCA) in the UK. The Annals of occupational hygiene 20090701
Oxidative DNA damage estimated by plasma 8-hydroxydeoxyguanosine (8-OHdG): influence of 4, 4'-methylenebis (2-chloroaniline) exposure and smoking. Journal of occupational health 20070901
Biomonitoring at the UK Health and Safety Laboratory. International journal of hygiene and environmental health 20070501
Simultaneous analysis of urinary 4,4'-methylenebis(2-chloroaniline) and N-acetyl 4,4'-methylenebis(2-chloroaniline) using solid-phase extraction and liquid chromatography/tandem mass spectrometry. Rapid communications in mass spectrometry : RCM 20070101
Identification and characterization of functional rat arylamine N-acetyltransferase 3: comparisons with rat arylamine N-acetyltransferases 1 and 2. The Journal of pharmacology and experimental therapeutics 20061001
Correlation between induction of DNA fragmentation in lung cells from rats and humans and carcinogenic activity. Mutation research 20060616
Evaluation of worker exposure to TDI, MOCA, and methylene chloride. Journal of occupational and environmental hygiene 20060601
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Bladder cancer screening and monitoring of 4,4'-methylenebis(2-chloroaniline) exposure among workers in Taiwan. Urology 20050801
Occupational bladder cancer in a 4,4 -methylenebis(2-chloroaniline) (MBOCA)-exposed worker. Environmental health perspectives 20050601
Differential induction of micronuclei in peripheral lymphocytes and exfoliated urothelial cells of workers exposed to 4,4'-methylenebis-(2-chloroaniline) (MOCA) and bitumen fumes. Reviews on environmental health 20050101
Embryonic turkey liver: activities of biotransformation enzymes and activation of DNA-reactive carcinogens. Archives of toxicology 20041001
Assessment of the performance of the Ames II assay: a collaborative study with 19 coded compounds. Mutation research 20040314
4,4'-Methylenebis(2-chloroaniline). Report on carcinogens : carcinogen profiles 20040101
Lack of DNA binding in the rat nasal mucosa and other tissues of the nasal toxicants roflumilast, a phosphodiesterase 4 inhibitor, and a metabolite, 4-amino-3,5-dichloropyridine, in contrast to the nasal carcinogen 2,6-dimethylaniline. Drug and chemical toxicology 20020201
4,4'-Methylenebis(2-chloroaniline). Report on carcinogens : carcinogen profiles 20020101
[Resolution of overlapping mass spectra of azobiphenyl dyes by subwindow factor analysis technique]. Se pu = Chinese journal of chromatography 20010301
Carcinogen substrate specificity of human COX-1 and COX-2. Carcinogenesis 20010101
Immunochemical, 32P-postlabeling, and GC/MS detection of 4-aminobiphenyl-DNA adducts in human peripheral lung in relation to metabolic activation pathways involving pulmonary N-oxidation, conjugation, and peroxidation. Mutation research 19970801
Contributions of human liver cytochrome P450 enzymes to the N-oxidation of 4,4'-methylene-bis(2-chloroaniline). Carcinogenesis 19920201
4,4'-Methylenebis(2-chloroaniline) (MOCA): the effect of multiple oral administration, route, and phenobarbital induction on macromolecular adduct formation in the rat. Fundamental and applied toxicology : official journal of the Society of Toxicology 19910101
Metabolic oxidation of the carcinogens 4-aminobiphenyl and 4,4'-methylene-bis(2-chloroaniline) by human hepatic microsomes and by purified rat hepatic cytochrome P-450 monooxygenases. Cancer research 19890101
Bladder tumors in two young males occupationally exposed to MBOCA. American journal of industrial medicine 19880101
Determination of the tumorigenic potential of methylene-bis-orthochloroaniline. Journal of environmental pathology and toxicology 19790101
Urinary bladder tumors in dogs from 4,4'-methylene-bis (2-chloroaniline) (MOCA). Journal of environmental pathology and toxicology 19780101
Experimental neoplasia in rats from oral administration of 3,3'-dichlorobenzidine, 4,4'-methylene-bis-bis(2-chloroaniline), and 4,4'-methylene-bis(2-methylaniline). Toxicology and applied pharmacology 19750101
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