2-Chlorobenzoic acid

Base Information

• Chemical Name: 2-Chlorobenzoic acid
• CAS No.: 118-91-2
• Molecular Formula: C7H5ClO2
• Molecular Weight: 156.569
• Hs Code.: 29163900
• European Community (EC) Number: 204-285-4,247-558-3
• NSC Number: 32737,15042
• UNII: 8P0867193V
• DSSTox Substance ID: DTXSID4024771
• Nikkaji Number: J26.900J
• Wikipedia: 2-Chlorobenzoic_acid
• Wikidata: Q2823208
• Metabolomics Workbench ID: 52020
• ChEMBL ID: CHEMBL115243
• Mol file: 118-91-2.mol

Synonyms:2-chlorobenzoate;2-chlorobenzoic acid;2-chlorobenzoic acid, copper (2+) salt;2-chlorobenzoic acid, nickel (2+) salt;2-chlorobenzoic acid, potassium salt

Chemical Property of 2-Chlorobenzoic acid

Chemical Property:

• Appearance/Colour: white crystals or powder
• Vapor Pressure: 0.00242mmHg at 25°C
• Melting Point: 139-143 °C
• Boiling Point: 275.7 °C at 760 mmHg
• Flash Point: 120.5 °C
• PSA: 37.30000
• Density: 1.544 g/cm³
• LogP: 2.03820
• Water Solubility.: soluble in hot water
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.9978071
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

Technology Process of 2-Chlorobenzoic acid

There total 207 articles about 2-Chlorobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2-methylchlorobenzene (95-49-8) → 2-chloro-benzaldehyde (89-98-5) + 1-bromomethyl-2-chlorobenzene (611-17-6) + ortho-chlorobenzoic acid (118-91-2)

Guidance literature:

With oxygen; cobalt(II) acetate; sodium bromide; In acetic acid; at 95 ℃; for 0.666667h; Kinetics; Mechanism; Rate constant; other time; other temperature; various concentrations of Co(OAc)2 and NaBr;

Reference yield: 90.0%

2-chloro-benzaldehyde (89-98-5) → 2-Chlorobenzyl alcohol (17849-38-6) + ortho-chlorobenzoic acid (118-91-2)

Guidance literature:

2-chloro-benzaldehyde; With potassium hydroxide; In water; at 20 ℃;

With hydrogenchloride; In water;

DOI:10.1080/00397910902916049

Reference yield: 76.0%

2-bromo-1-chlorobenzene (694-80-4) + carbon monoxide (201230-82-2) → methyl chlorobenzoate (610-96-8) + phthalic acid dimethyl ester (131-11-3,64441-70-9) + ortho-chlorobenzoic acid (118-91-2)

Guidance literature:

With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate; In tetrahydrofuran; at 40 ℃; for 10h; under 760 Torr; Irradiation;

DOI:10.1021/jo00131a005

upstream raw materials:

2-Chlorobenzonitrile

methyl chlorobenzoate

N,N-dimethyl-3,4-dimethoxybenzylamine

o-Carboxybenzenediazonium

Downstream raw materials:

N-(6-methoxy-[3]pyridyl)-anthranilic acid

N-(6-fluoro-[8]quinolyl)-anthranilic acid

N-(6-benzyloxy-[3]pyridyl)-anthranilic acid

N-(3-methoxyphenyl)anthranilic acid

Refernces

• 1、 Wang, Yongbing,Hong, Chia-Swee. "TiO2-mediated photomineralization of 2-chlorobiphenyl: The role of O2". . p. 2791 - 2797. Retrieved 2000.
• 2、 Boisselier, Veronique Le,Dunach, Elisabet,Postel, Michele. "Bismuth(III)-catalyzed oxidative cleavage of aryl epoxides: substituent effects on the kinetics of the oxidation reaction". . p. 119 - 124. Retrieved 1994.
• 3、 Smith. "". . p. 213,217. Retrieved 1934.
• 4、 Deacon, G.B.,MacKinnon, P.I.. "SELECTIVE REMOVAL OF ORTHO HALOGENS BY A DIORGANOLANTHANOID". . p. 783 - 784. Retrieved 1984.
• 5、 Rai, Roopa,Collum, David B.. "Reductions and radical cyclizations of aryl and alkyl bromides mediated by NaBH4 in aqueous base". . p. 6221 - 6224. Retrieved 1994.
• 6、 Atkinson et al.. "-". . . Retrieved 1943.
• 7、 Dong, Zhengping,Fang, Jian,Li, Boyang,Xu, Dan,Zhang, Fengwei,Zhao, Hong,Zhu, Hanghang. "Atomically Dispersed Co Clusters Anchored on N-doped Carbon Nanotubes for Efficient Dehydrogenation of Alcohols and Subsequent Conversion to Carboxylic Acids". . p. 4536 - 4545. Retrieved 2021/09/22.
• 8、 Huang, Cheng,Su, Xiaoyan,Gu, Xiangyu,Liu, Rui,Zhu, Hongjun. "Bimetallic oxide nanoparticles confined in ZIF-67-derived carbon for highly selective oxidation of saturated C–H bond in alkyl arenes". . . Retrieved 2020/10/15.