Cas no 99586-84-2 (methyl 3-chloro-2-methylbenzoate)
Methyl 3-chloro-2-methylbenzoate is a benzoate ester derivative featuring both chloro and methyl substituents on the aromatic ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its well-defined structure and reactivity make it suitable for further functionalization, such as nucleophilic substitution or coupling reactions. The presence of the electron-withdrawing chloro group enhances its utility in electrophilic aromatic substitution processes. The ester moiety provides additional versatility for hydrolysis or transesterification reactions. With high purity and stability under standard conditions, it is a reliable building block for research and industrial applications requiring precise molecular modifications.
99586-84-2 structure
Product Name:methyl 3-chloro-2-methylbenzoate
CAS No:99586-84-2
MF:C9H9ClO2
MW:184.619561910629
MDL:MFCD00230148
CID:1993674
PubChem ID:5077673
Update Time:2025-06-07
methyl 3-chloro-2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-chloro-2-methylbenzoate
- 3-Chloro-2-methyl-benzoic acid methyl ester
- MFCD00230148
- CS-0101995
- DTXSID60408104
- EN300-195613
- 3-Chloro-2-methylbenzoic acid methyl ester
- ZDA58684
- SY166995
- Methyl 3chloro-2-methylbenzoate
- FS-3558
- Z1255431417
- 99586-84-2
- methyl3-chloro-2-methylbenzoate
- SB40383
- LCWKTHHPYGUFHR-UHFFFAOYSA-N
- SCHEMBL724484
- DB-096268
- AKOS023100572
- CL9299
- DTXCID40358956
-
- MDL： MFCD00230148
- Inchi： 1S/C9H9ClO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3
- InChI Key： LCWKTHHPYGUFHR-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C(=O)OC)=C1C
Computed Properties
- Exact Mass: 184.0291072g/mol
- Monoisotopic Mass: 184.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.186
- Boiling Point: 243.6°C at 760 mmHg
- Flash Point: 111.2°C
- Refractive Index: 1.525
methyl 3-chloro-2-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 094420-1g |
Methyl 3-chloro-2-methylbenzoate |
99586-84-2 | 95% | 1g |
￡47.00 | 2022-03-01 | |
| Fluorochem | 094420-5g |
Methyl 3-chloro-2-methylbenzoate |
99586-84-2 | 95% | 5g |
￡160.00 | 2022-03-01 | |
| Fluorochem | 094420-25g |
Methyl 3-chloro-2-methylbenzoate |
99586-84-2 | 95% | 25g |
￡479.00 | 2022-03-01 | |
| TRC | M220225-50mg |
Methyl 3-Chloro-2-methylbenzoate |
99586-84-2 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M220225-100mg |
Methyl 3-Chloro-2-methylbenzoate |
99586-84-2 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | M220225-500mg |
Methyl 3-Chloro-2-methylbenzoate |
99586-84-2 | 500mg |
$ 115.00 | 2022-06-04 | ||
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0477-1g |
3-Chloro-2-methyl-benzoic acid methyl ester |
99586-84-2 | 97% | 1g |
8463.46CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0477-5g |
3-Chloro-2-methyl-benzoic acid methyl ester |
99586-84-2 | 97% | 5g |
33904.74CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0477-500mg |
3-Chloro-2-methyl-benzoic acid methyl ester |
99586-84-2 | 97% | 500mg |
4655.75CNY | 2021-05-08 | |
| Chemenu | CM155584-25g |
3-Chloro-2-methyl-benzoic acid methyl ester |
99586-84-2 | 95% | 25g |
$716 | 2022-12-31 |
methyl 3-chloro-2-methylbenzoate Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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