4-Chloro-isatoic anhydride
- CAS No.
- 40928-13-0
- Chemical Name:
- 4-Chloro-isatoic anhydride
- Synonyms
- 7-chloro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;AURORA KA-6696;6-CHLOROISATOIC ANHYDRIDE;7-CHLOROISATOIC ANHYDRIDE;4-CHLORO-ISATOIC ANHYDRIDE;4-CHLOROISATONIC ANHYDRIDE;4-Chloroisatoic Anhydride >7-chloro-1H-3,1-benzoxazine-2,4-dione;7-chloro-1H-3,1-benzoxazine-2,4-quinone;7-chloro-2H-3,1-benzoxazine-2,4(1H)-dione
- CBNumber:
- CB3190971
- Molecular Formula:
- C8H4ClNO3
- Molecular Weight:
- 197.58
- MDL Number:
- MFCD00090431
- MOL File:
- 40928-13-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 255-259 °C |
|---|---|
| Density | 1.540±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Dimethylformamide |
| form | powder to crystal |
| pka | 9.95±0.20(Predicted) |
| color | White to Light yellow |
| InChI | 1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12) |
| InChIKey | QRUPDIJQZCABTC-UHFFFAOYSA-N |
| SMILES | Clc1ccc2C(=O)OC(=O)Nc2c1 |
| CAS DataBase Reference | 40928-13-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36/37 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2934999090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704 |
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4-Chloro-isatoic anhydride price More Price(55)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 691720 | 4-Chloroisatoic anhydride 97% | 40928-13-0 | 1g | $42.1 | 2023-06-20 | Buy |
| TCI Chemical | C2790 | 4-Chloroisatoic Anhydride >98.0%(HPLC)(T) | 40928-13-0 | 1g | $43 | 2026-04-30 | Buy |
| TCI Chemical | C2790 | 4-Chloroisatoic Anhydride | 40928-13-0 | 5G | $186 | 2026-04-30 | Buy |
| AstaTech | 68187 | 4-CHLORO-ISATOIC ANHYDRIDE 97% | 40928-13-0 | 1G | $27 | 2026-04-30 | Buy |
| AstaTech | 68187 | 4-CHLORO-ISATOIC ANHYDRIDE 97% | 40928-13-0 | 5G | $87 | 2026-04-30 | Buy |
4-Chloro-isatoic anhydride Chemical Properties,Uses,Production
Chemical Properties
White solid
Synthesis Reference(s)
The Journal of Organic Chemistry, 26, p. 613, 1961 DOI: 10.1021/jo01061a618
Synthesis
32315-10-9
89-77-0
40928-13-0
General procedure for the synthesis of 7-chloro-1H-benzo[d][1,3]oxazine-2,4-dione from triphosgene and 2-amino-4-chlorobenzoic acid: 1. Preparation of Intermediate G: To a stirred solution of 2-amino-4-chlorobenzoic acid (10 g, 0.058 mol) in acetonitrile (60 mL), a solution of pyridine (9.4 mL, 0.117 mol, 2 eq.) and triphosgene (17.3 g, 0.058 mol, 1 eq.) in dichloromethane (85 mL, 0.7 M) was slowly added. 2. Treatment of the reaction mixture: the resulting orange reaction solution was heated at 50 °C for 2 h and subsequently cooled to room temperature. 3. Separation and purification: the reaction solution was diluted with water (50 mL) to separate the organic and aqueous layers. The aqueous layer was extracted with dichloromethane (3 x 50 mL) and the combined organic layers were washed once with brine (50 mL) and dried with anhydrous magnesium sulfate. 4. Purification of products: The reaction solution was heated at 50 °C for 2 h and subsequently cooled to room temperature. 4. Purification of product: The solvent was removed by distillation under reduced pressure to give a yellow solid. The solid was recrystallized from hexane to give 7-chloro-1H-benzo[d][1,3]oxazine-2,4-dione (9.1 g, 74% yield) as a yellow solid. 1H NMR (acetone-d6, 500 MHz): δ (ppm) 7.13-7.14 (1H, s), 7.28-7.30 (1H, d, J = 8.5 Hz), 7.90-7.92 (1H, d, J = 8.6 Hz), 11.84 (1H, bs).
References
[1] Journal of Medicinal Chemistry, 2015, vol. 58, # 17, p. 6928 - 6937
[2] Journal of Medicinal Chemistry, 2006, vol. 49, # 7, p. 2311 - 2319
[3] Patent: US9126978, 2015, B2. Location in patent: Page/Page column 57; 58
[4] European Journal of Medicinal Chemistry, 1994, vol. 29, # 12, p. 925 - 940
[5] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 10, p. 2295 - 2299
4-Chloro-isatoic anhydride Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 |
View Lastest Price from 4-Chloro-isatoic anhydride manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-18 | 4-chloroisatoic anhydride
40928-13-0
|
1kg | 98% | Hefei Lbao Physical & Chemical Science Co.,Ltd | |||
 |
2020-01-01 | 4-Chloro-isatoic anhydride
40928-13-0
|
$1.00 | 1KG | 99% | 200kg | Career Henan Chemical Co |
-
- 4-chloroisatoic anhydride
40928-13-0
- $0.00
- 98%
- Hefei Lbao Physical & Chemical Science Co.,Ltd
-
- 4-Chloro-isatoic anhydride
40928-13-0
- $1.00
- 99%
- Career Henan Chemical Co
