Tofacitinib Impurity 198
Methyl Cyanoacetate
CAS: 105-34-0
Molecular Formula: C4H5NO2
Tofacitinib Impurity 198 - Names and Identifiers
| Name | Methyl Cyanoacetate |
| Synonyms | 2-cyanopropanoate Methyl Cyanoacetate methyl2-cyanoacetate methylcyanoethanoate Methyl 2-cyanoacetate Methyl cyanoethanoate Tofacitinib Impurity 198 Cyanoacetic acid methyl ester Aceticacid,cyano-,methylester Pemetrexed disodium Impurity 12 Methylester kyseliny kyanoctove |
| CAS | 105-34-0 |
| EINECS | 203-288-8 |
| InChI | InChI:1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3 |
Tofacitinib Impurity 198 - Physico-chemical Properties
| Molecular Formula | C4H5NO2 |
| Molar Mass | 99.09 |
| Density | 1.123g/mLat 25°C(lit.) |
| Melting Point | -13 °C |
| Boling Point | 204-207°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | 54 g/L (20 ºC) |
| Solubility | 54g/l |
| Vapor Presure | 0.2 mm Hg ( 20 °C) |
| Vapor Density | 3.41 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to very slightly yellow |
| BRN | 773945 |
| pKa | 2.75±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.417(lit.) |
| Physical and Chemical Properties | Colorless to yellowish transparent liquid. melting point -22.5 ℃ boiling point 204~207 ℃ relative density 1.1225 refractive index 1.4174 solubility insoluble in water. Miscible with ethanol and ether. |
| Use | Intermediates for organic synthesis, pharmaceuticals, dyes and preparation of α-cyanoacrylate quick-drying adhesives |
Tofacitinib Impurity 198 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | 3276 |
| WGK Germany | 1 |
| RTECS | AG4375000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Note | Irritant |
| Hazard Class | 6.1(b) |
| Packing Group | III |
Tofacitinib Impurity 198 - Upstream Downstream Industry
| Downstream Products | Cyanoacetamide 4-Chloro-2,6-diaminopyrimidine |
Tofacitinib Impurity 198 - Nature
Open Data Verified Data
colorless to yellowish transparent liquid, flammable. Boiling Point 204~207 deg C. Melting Point -22.5 °c. The relative density was 1.1225. Refractive index 4174. Insoluble in water. Miscible with ethanol and ether.
Last Update：2025-06-10 22:55:16
Tofacitinib Impurity 198 - Preparation Method
Open Data Verified Data
- esterification of chloroacetic acid with methanol methyl chloroacetate is produced by esterification of chloroacetic acid with methanol. After rectification, the refined product of methyl chloroacetate was obtained, and the crude product was obtained by cyanation reaction with sodium cyanide. Then the crude product was filtered, distilled under normal pressure and distilled under reduced pressure to obtain methyl cyanoacetate.
- cyanoacetic acid and methanol esterification method add cyanoacetic acid, methanol, sulfuric acid into the reactor, heat reflux for 3 hours, cool to 10 ℃, add sodium carbonate solution and neutralization, methyl cyanoacetate was obtained by distillation at 132~136 ℃ and 2.133kPa.
Last Update：2022-01-01 10:37:08
Tofacitinib Impurity 198 - Application
Open Data Verified Data
This product is organic synthesis, medicine, dye intermediates, mainly used in the manufacture of adhesives, 2 methyl cyanoacrylate, vitamin B6, etc.
Last Update：2025-08-19 16:24:40
Tofacitinib Impurity 198 - Safety
Open Data Verified Data
- This product has moderate toxicity. The LD50 of guinea pigs by oral and intraperitoneal injection was 400 ~ 800mg/kg. Protection Measure see cyanoacetic acid. The operator should wear protective gear.
- This product is flammable and toxic. It is sealed in aluminum or plastic barrels, 200kg per barrel. Storage and transportation should be away from the fire, sun protection, fire. It shall be stored and transported according to the regulations on flammable and toxic dangerous goods.
Last Update：2022-01-01 10:37:08
Tofacitinib Impurity 198 - Reference Information
| LogP | -0.47 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Product description | methyl cyanoacetate is an intermediate product of some bioactive compounds used in pharmaceutical organic synthesis and synthetic agriculture. It undergoes a calcite-or fluorite-catalyzed condensation reaction of knövenagel with an aromatic aldehyde to give the corresponding arylarylene maleonitrile and (E )-α-cyanate ester. |
| Application | methyl cyanoacetate is an important pharmaceutical and chemical raw material; Methyl cyanoacetate can be used as raw material to synthesize cyanoacetamide, malononitrile, gabapentin, pyrimidine amine and other important chemical products. |
| preparation method | in one equipped with a stirrer, 99% g (1 mol) of industrial-grade 99% methyl cyanoacetate, G (3mol) of industrial-grade tert-butanol, and 3g of analytically pure sodium tert-butoxide are added to the ml three-mouth bottle of the thermometer and rectification device, and the mixture is stirred and heated to 80 ° C. And reacted for 10 hours. After the tert-butyl alcohol was recovered under reduced pressure, the feed liquid was adjusted to pH 8 with acetic acid and subjected to rectification. 125g of tert-butyl cyanoacetate was obtained in a yield of 88% and a product purity of 99% (GC). |
| Application | methyl cyanoacetate, like ethyl cyanoacetate, is also an important intermediate of pesticides, preparing 2-amino -4, 6-dimethoxypyrimidine is useful in the preparation of sulfonylurea herbicides and is also an intermediate of the pharmaceutical methyl 2-cyanoacrylate. This product is an intermediate of organic synthesis, medicine and dye. It is mainly used in the manufacture of adhesives (e. G., medical adhesive methyl 2-cyanoacrylate), vitamin B6, malononitrile, and the like. Using a similar process can be prepared ethyl cyanoacetate, butyl cyanoacetate, mainly used as adhesives, cyanoacrylate quick-drying adhesive, can be used for medicine or automobile parts, household appliances assembly bonding. used in organic synthesis, medicine, dye intermediates and preparation of α-cyanoacrylate quick drying adhesive methyl cyanoacetate is a pharmaceutical, dye intermediates, mainly used in the manufacture of adhesives, vitamin B6, etc. |
| production method | 1. Esterification of chloroacetic acid with methanol methyl chloroacetic acid is esterified with methanol to produce methyl chloroacetate. After rectification, the refined product of methyl chloroacetate was obtained, and the crude product was obtained by cyanation reaction with sodium cyanide. Then the crude product was filtered, distilled under normal pressure and distilled under reduced pressure to obtain methyl cyanoacetate. 2. Cyanoacetic acid and methanol esterification method cyanoacetic acid, methanol and sulfuric acid were added into the reactor, heated to reflux for 3H, cooled to 10 ℃, neutralized with sodium carbonate solution, distilled at 132-136 ℃ and 2.133kPa, methyl cyanoacetate product was obtained. The preparation method is similar to the preparation method of ethyl cyanoacetate, I .e., obtained by the action of cyanoacetic acid and methanol in the presence of sulfuric acid. NCCH2COOH CH3OH[H2SO4]→NCCH2COOCH3 H2O |
Last Update：2024-04-09 15:16:45
Supplier List
Featured ProductsSpot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-18821248368
Email: Int06@meryer.com
Mobile: +86-18821248368
QQ: 495145328
WhatsApp: +86-18821248368
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: 021-60556179
Email: 18721521379@163.com
Mobile: +86-18721521379
Wechat: 18721521379
Product Name: Methyl Cyanoacetate Request for quotation
CAS: 105-34-0
Tel: 0513-66814854
Email: pules.cn@gmail.com
Mobile: +86-17551318830
CAS: 105-34-0
Tel: 0513-66814854
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Spot supply
Product Name: Tofacitinib Impurity 108 Request for quotationCAS: 105-34-0
Tel: 0712-8899838
Email: jy6101@rmastandards.com
Mobile: 86-15787876101
QQ: 2518299249
Wechat: 15787876101
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: +86-17505207175
Email: 3787852685@qq.com
Mobile: +86-17505207175
QQ: 3787852685
Wechat: chemical6666
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: +86-13776910623
Email: r@reformchem.com
Mobile: +86-13776910623
QQ: 3785839865
Wechat: chemical6666
Spot supply
Product Name: Methyl 2-cyanoacetate Request for quotationCAS: 105-34-0
Tel: 400-968-2212
Email: 3623107365@qq.com
Mobile: 18916960931
QQ: 3623107365
Wechat: 18916960931
Spot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-400-900-4166
Email: product@acmec-e.com
Mobile: +86-18621343501
QQ: 2881950922
Wechat: 18621343501
WhatsApp: +86-18621343501
Spot supply
Product Name: Methyl Cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-531-82316028
Email: sales@zsscm.com.cn
Mobile: +8615726167122
Spot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86 0571-86722205
Email: sales@chinaskyrun.com
Mobile: +8618958170122
QQ: 2531159185
Wechat: chinaskyrun
Featured ProductsSpot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-18821248368
Email: Int06@meryer.com
Mobile: +86-18821248368
QQ: 495145328
WhatsApp: +86-18821248368
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: 021-60556179
Email: 18721521379@163.com
Mobile: +86-18721521379
Wechat: 18721521379
Product Name: Methyl Cyanoacetate Request for quotation
CAS: 105-34-0
Tel: 0513-66814854
Email: pules.cn@gmail.com
Mobile: +86-17551318830
CAS: 105-34-0
Tel: 0513-66814854
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Spot supply
Product Name: Tofacitinib Impurity 108 Request for quotationCAS: 105-34-0
Tel: 0712-8899838
Email: jy6101@rmastandards.com
Mobile: 86-15787876101
QQ: 2518299249
Wechat: 15787876101
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: +86-17505207175
Email: 3787852685@qq.com
Mobile: +86-17505207175
QQ: 3787852685
Wechat: chemical6666
Spot supply
Product Name: Methyl Cyanoacetate Request for quotationCAS: 105-34-0
Tel: +86-13776910623
Email: r@reformchem.com
Mobile: +86-13776910623
QQ: 3785839865
Wechat: chemical6666
Spot supply
Product Name: Methyl 2-cyanoacetate Request for quotationCAS: 105-34-0
Tel: 400-968-2212
Email: 3623107365@qq.com
Mobile: 18916960931
QQ: 3623107365
Wechat: 18916960931
Spot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-400-900-4166
Email: product@acmec-e.com
Mobile: +86-18621343501
QQ: 2881950922
Wechat: 18621343501
WhatsApp: +86-18621343501
Spot supply
Product Name: Methyl Cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86-531-82316028
Email: sales@zsscm.com.cn
Mobile: +8615726167122
Spot supply
Product Name: Methyl cyanoacetate Visit Supplier Webpage Request for quotationCAS: 105-34-0
Tel: +86 0571-86722205
Email: sales@chinaskyrun.com
Mobile: +8618958170122
QQ: 2531159185
Wechat: chinaskyrun
View History
Downstream Products for Tofacitinib Impurity 198