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4,4′-Methylene-bis(2-chloroaniline) - 85%, high purity , CAS No.101-14-4
Basic Description
Synonyms
3,4'-diaminodifenilmetano | Methylenebis(3-chloro-4-aminobenzene) | methylenebis(o-chloroaniline) | 3L2W5VTT2A | 4,4'-Methylene(bis)-chloroaniline | Benzenamine, ar,ar'-methylenebis(2-chloro- | HMS3039N14 | 4,4-Metilene-bis-o-cloroanilina [Italian] | 4,4'
Specifications & Purity
≥85%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylmethane - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors
chloroaniline
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504751387
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751387
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
InChIKey
IBOFVQJTBBUKMU-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
Isomeric SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
WGK Germany
3
UN Number
3077
Packing Group
III
Molecular Weight
267.15
Beilstein
1882318
Reaxy-Rn
1882318
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1882318&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
113°C
Boil Point(°C)
202-214°C
Melt Point(°C)
102-107°C
Molecular Weight
267.150 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
266.038 Da
Monoisotopic Mass
266.038 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
226.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Lijing Lu, Haoyue Ning, Jipeng Guo, Chuang Guo, Liao Pan, Lixin Lu.
(2023)
Synthesis, Evaluation, and Electrochemical Detection Application of Magnetic Molecularly Imprinted Polymers for 4,4-Methylenedianiline from Food-Contact Materials. ADVANCES IN POLYMER TECHNOLOGY,
2023
(9306542).
2.
Tianhong Yang, Zhaoyi He, Gang Huang, Yongli Zhao, Jianwei Fu, Hao Xiang, Yingju Zhou.
(2023)
Study on materials composition and process parameters of polyurethane-modified asphalt synthesized in-situ by the one-shot process. CONSTRUCTION AND BUILDING MATERIALS,
374
(130661).
3.
Wenxiu Jiao, Aimin Sha, Jin Zhang, Meng Jia, Wei Jiang, Liqun Hu.
(2023)
Design and properties of polyurethane solid–solid phase-change granular temperature regulation asphalt mixtures. SOLAR ENERGY,
253
(47).
4.
Yanjie Zheng, Keli Wang, Lei Sun, Huili Shi, Xia Zhang.
(2022)
Preparation of PFDTS-kaolin/PU superamphiphobic coatings with antibacterial, antifouling and improved durability property. PROGRESS IN ORGANIC COATINGS,
173
(107145).
5.
Yaochen Zheng, Peng Song, Shaoxiang Liu, Mengqing Wu, Hui Xu, Chenghui Qiao, Jian Liu, Zhengguo Gao, Qingfu Ban.
(2021)
Transparent and toughening epoxy thermosets modified by linear telechelic polymer containing rigid spiroacetal moieties: Uncovering the relationship between the heterogeneous crosslinked network and thermoset performances. JOURNAL OF POLYMER SCIENCE,
59
(13):
(1390-1398).
6.
Xiongwei Wang, Peiyi Wu.
(2019)
3D Vertically Aligned BNNS Network with Long-Range Continuous Channels for Achieving a Highly Thermally Conductive Composite. ACS Applied Materials & Interfaces,
11
(32):
(28943–28952).
7.
Ziming Shen, Jiachun Feng.
(2019)
Preparation of Thermally Conductive Polymer Composites with Good Electromagnetic Interference Shielding Efficiency Based on Natural Wood-Derived Carbon Scaffolds. ACS Sustainable Chemistry & Engineering,
7
(6):
(6259–6266).
8.
Ziming Shen, Jiachun Feng.
(2019)
Achieving vertically aligned SiC microwires networks in a uniform cold environment for polymer composites with high through-plane thermal conductivity enhancement. COMPOSITES SCIENCE AND TECHNOLOGY,
170
(135).
9.
Shusheng Chen, Bin Chen, Jiashu Fan, Jiachun Feng.
(2015)
Exploring the Application of Sustainable Poly(propylene carbonate) Copolymer in Toughening Epoxy Thermosets. ACS Sustainable Chemistry & Engineering,
3
(9):
(2077–2083).
10.
Jiading Wang, Shaoyun Guo, Xianlong Zhang.
(2024)
Broken Chain Self-Reconnection Strategy Enables Radiation Ultraresistance of Polyurethane. MACROMOLECULES,
57
(23):
(11266-11275).
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10 Citations
H1920127