Cas no 7697-28-1 (4-Bromo-3-methylbenzoic acid)
4-Bromo-3-methylbenzoic acid is a halogenated aromatic carboxylic acid with the molecular formula C?H?BrO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromo and methyl substituents on the benzoic acid scaffold enhances its reactivity, enabling selective functionalization at distinct positions. Its high purity and stability make it suitable for use in cross-coupling reactions, such as Suzuki or Heck reactions, as well as in the synthesis of complex molecular frameworks. The compound is typically supplied as a white to off-white crystalline solid, ensuring consistent performance in laboratory and industrial applications.
4-Bromo-3-methylbenzoic acid structure
Product Name:4-Bromo-3-methylbenzoic acid
CAS No:7697-28-1
MF:C8H7BrO2
MW:215.043981790543
MDL:MFCD00039526
CID:47680
PubChem ID:82131
Update Time:2025-06-09
4-Bromo-3-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3-methylbenzoic acid
- 4-Bromo-m-toluic acid
- 3-Methyl -4-Bromobenzoic acid
- 3-methyl-4-bromo-benzoic acid
- 4-bromo-3-methyl-1-benzoic acid
- 4-Bromo-3-methyl-benzoic acid
- EINECS 231-713-7
- 3-Methyl-4-bromobenzoic acid
- 4-Bromo-3-methylbenzoicacid
- 4-Bromo-3-methyl benzoic acid
- BENZOIC ACID, 4-BROMO-3-METHYL-
- PubChem3807
- 4bromo-3-methylbenzoic acid
- KSC379G0B
- 4-bromo-5-methylbenzoic acid
- RARECHEM AL BO 1293
- EBD3388
- KWVXDZLVCISXIB-UHFFFAOYSA-N
- EN300-116635
- AM20060120
- BCP24563
- CS-W002178
- B77W8W6R4Q
- FT-0600920
- PS-7946
- AKOS000298678
- BP-10001
- STR06302
- 4-Bromo-3-methylbenzoic acid, 97%
- AC-3917
- A15957
- W-104331
- DTXSID20227752
- 4-bromo-3-methylbenzenecarboxylic acid
- NS00037868
- SCHEMBL141936
- SY005296
- UNII-B77W8W6R4Q
- 7697-28-1
- Q27451078
- Z1269154857
- MFCD00039526
- B3113
- DB-005338
- DTXCID70150243
- 231-713-7
- FB37522
-
- MDL： MFCD00039526
- Inchi： 1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
- InChI Key： KWVXDZLVCISXIB-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)O)C=C1C
- BRN： 2356649
Computed Properties
- Exact Mass: 213.96300
- Monoisotopic Mass: 213.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.599 g/cm3
- Melting Point: 212.0 to 218.0 deg-C
- Boiling Point: 311.4oCat 760 mmHg
- Flash Point: 142.1℃
- PSA: 37.30000
- LogP: 2.45570
4-Bromo-3-methylbenzoic acid Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315,H319,H335
- Warning Statement： P261,P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：Store at room temperature
- Risk Phrases：R36/37/38
- Safety Term：S26;S36
4-Bromo-3-methylbenzoic acid Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-Bromo-3-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B3113-25g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 97.0%(GC&T) | 25g |
￥2400.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B3113-5g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 97.0%(GC&T) | 5g |
￥600.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B584A-5g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 5g |
￥42.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B584A-25g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 25g |
￥132.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B584A-100g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 100g |
￥502.0 | 2022-05-30 | |
| Chemenu | CM100386-500g |
4-bromo-3-methylbenzoic acid |
7697-28-1 | 95+% | 500g |
$299 | 2021-06-17 | |
| Fluorochem | 018296-10g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 10g |
￡19.00 | 2022-03-01 | |
| Fluorochem | 018296-25g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 25g |
￡24.00 | 2022-03-01 | |
| Fluorochem | 018296-100g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 100g |
￡69.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B120923-100g |
4-Bromo-3-methylbenzoic acid |
7697-28-1 | 98% | 100g |
￥339.90 | 2023-09-04 |
4-Bromo-3-methylbenzoic acid Suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:7697-28-1)3-甲基-4-溴苯甲酸
Order Number:LE27056011
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:03
Price ($):discuss personally
Email:[email protected]
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:7697-28-1)4-Bromo-3-methylbenzoic acid
Order Number:A15957
Stock Status:in Stock
Quantity:1kg/500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):465.0/234.0
Email:[email protected]
4-Bromo-3-methylbenzoic acid Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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