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2-Chlorobenzoic acid - 98%, high purity , CAS No.118-91-2
Basic Description
Synonyms
OCBA | D77315 | DTXCID304771 | MFCD00002412 | Benzoic acid, chloro- | SCHEMBL367 | EN300-18043 | 2-Cba | 2-Chlorobenzoic acid | 2-chloro-benzoic acid | 2-Chlorobenzoic acid, analytical standard | STK301675 | F9995-1661 | MESALAZINE IMPURITY L [EP IMPURITY
Specifications & Purity
≥98%
Storage Temp
Desiccated
Shipped In
Normal
Product Description
2-Chlorobenzoic acid was used to study the degradation of 2-bromobenzoic acid by Pseudomonas aeruginosa.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
monochlorobenzoic acid - 2-halobenzoic acid
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
488180770
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180770
IUPAC Name
2-chlorobenzoic acid
INCHI
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey
IKCLCGXPQILATA-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)O)Cl
WGK Germany
2
RTECS
DG4976000
Molecular Weight
156.57
Beilstein
907340
Reaxy-Rn
907340
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907340&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Practically insoluble; Very soluble in Ether,Alcohol; Soluble in Acetone,Benzene
Flash Point(°F)
343.4 °F
Flash Point(°C)
173 °C
Boil Point(°C)
285°C
Melt Point(°C)
142°C
Molecular Weight
156.560 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
155.998 Da
Monoisotopic Mass
155.998 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
136.000
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.
Guangying Sun, Zheng Zhang, Liying Yang, Jianming Jiang, Wu Yao, Le Pan, Long Chen, Changjiang Li, Zhaosheng Liu.
(2023)
Optimizing the preparative capacity of two-dimensional liquid chromatography based on analytes retention behaviors. JOURNAL OF CHROMATOGRAPHY A,
1690
(463786).
2.
S. Zhang, Q. Yang, T. Wang, S. Li, X. Lv, J. Su, J. Chen, S. Ni, Y. Lai, J. Zhan.
(2022)
On-demand fabrication of porous silver nanostructures by chloride ions inspired galvanic replacement reaction. Materials Today Chemistry,
24
(100995).
3.
Jiasheng Zhou, Zimo Lou, Zheni Wang, Chuchen Zhou, Cheng Li, Shams Ali Baig, Xinhua Xu.
(2021)
Electrocatalytic dechlorination of 2,4-DCBA using CTAB functionalized Pd/GAC movable granular catalyst: Role of adsorption in catalysis. CHEMICAL ENGINEERING JOURNAL,
414
(128758).
4.
Yuting Liu, Mingtao Zhang, Danrui Xu, Sean Parkin, Tonglei Li, Conggang Li, Zhaoyong Yang, Faquan Yu, Sihui Long.
(2019)
Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids. CRYSTAL GROWTH & DESIGN,
19
(7):
(3694–3703).
5.
Jiasheng Zhou, Zimo Lou, Jiang Xu, Xiaoxin Zhou, Kunlun Yang, Xiaoyu Gao, Yilin Zhang, Xinhua Xu.
(2019)
Enhanced electrocatalytic dechlorination by dispersed and moveable activated carbon supported palladium catalyst. CHEMICAL ENGINEERING JOURNAL,
358
(1176).
6.
Zimo Lou, Jiasheng Zhou, Mei Sun, Jiang Xu, Kunlun Yang, Dan Lv, Yaping Zhao, Xinhua Xu.
(2018)
MnO2 enhances electrocatalytic hydrodechlorination by Pd/Ni foam electrodes and reduces Pd needs. CHEMICAL ENGINEERING JOURNAL,
352
(549).
7.
Wang Hui, Hu Jinxing, Xu Kai, Tang Xianjin, Xu Xinhua, Shen Chaofeng.
(2018)
Biodegradation and chemotaxis of polychlorinated biphenyls, biphenyls, and their metabolites by Rhodococcus spp.. BIODEGRADATION,
29
(1):
(1-10).
8.
Peng Xi-Tian, Feng Yu-Qi, Hu Xi-Zhou, Hu Ding-Jin.
(2013)
Preparation and Characterization of the Neomycin-Bonded Silica Stationary Phase for Hydrophilic-Interaction Chromatography. CHROMATOGRAPHIA,
76
(9):
(459-465).
9.
Jinxing Hu,Mingrong Qian,Qian Zhang,Jinglan Cui,Chunna Yu,Xiaomei Su,Chaofeng Shen,Muhammad Z Hashmi,Jiyan Shi.
(2015-04-16)
Sphingobium fuliginis HC3: a novel and robust isolated biphenyl- and polychlorinated biphenyls-degrading bacterium without dead-end intermediates accumulation.. PloS one,
10
((4)):
(e0122740-e0122740).
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9 Citations
H2124095