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95-83-0 | 4-Chlorobenzene-1,2-diamine
CAS No: 95-83-0 Catalog No: AG0036W0 MDL No:MFCD00011691
Product Description
Catalog Number:
AG0036W0
Chemical Name:
4-Chlorobenzene-1,2-diamine
CAS Number:
95-83-0
Molecular Formula:
C6H7ClN2
Molecular Weight:
142.5862
MDL Number:
MFCD00011691
IUPAC Name:
4-chlorobenzene-1,2-diamine
InChI:
InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChI Key:
BXIXXXYDDJVHDL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)N
EC Number:
202-456-8
UNII:
8E72QRZ33H
NSC Number:
6157
UN Number:
3143
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.586g/mol
Monoisotopic Mass:
142.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
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| Synthesis, spectroscopic studies and electrochemistry of palladium (II) macrocyclic complexes derived from a new tetraazahalogen substituted ligands by template method and their antimicrobial and pesticidal activities. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
| 2,9-Dichloro-6H,13H-5:12,7:14-di-methano-dibenzo[d,i][1,3,6,8]tetra-azecine. | Acta crystallographica. Section E, Structure reports online 20110901 |
| 1,2-Bis(N'-benzoyl-thio-ureido)-4-chloro-benzene. | Acta crystallographica. Section E, Structure reports online 20110601 |
| 4-Chloro-o-phenylenediamine. | Report on carcinogens : carcinogen profiles 20110101 |
| Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with the Trypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity. | Molecular biology international 20110101 |
| Photodegradation of selected PCBs in the presence of Nano-TiO2 as catalyst and H2O2 as an oxidant. | International journal of environmental research and public health 20101101 |
| Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity. | Environmental health perspectives 20080401 |
| Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives. | Bulletin of environmental contamination and toxicology 20080101 |
| Oxidative DNA damage induced by hair dye components ortho-phenylenediamines and the enhancement by superoxide dismutase. | Mutation research 20060905 |
| Evaluation of liver and peripheral blood micronucleus assays with 9 chemicals using young rats. A study by the Collaborative Study Group for the Micronucleus Test (CSGMT)/Japanese Environmental Mutagen Society (JEMS)-Mammalian Mutagenicity Study Group (MMS). | Mutation research 20050606 |
| 4-Chloro-o-phenylenediamine. | Report on carcinogens : carcinogen profiles 20040101 |
| 4-Chloro-o-phenylenediamine. | Report on carcinogens : carcinogen profiles 20020101 |
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