3-aminobenzotrifluoride
3-aminobenzotrifluoride structure
|
Common Name | 3-aminobenzotrifluoride | ||
|---|---|---|---|---|
| CAS Number | 5098-16-8 | Molecular Weight | 123.11300 | |
| Density | 1.29 g/mL at 25ºC(lit.) | Boiling Point | 187ºC(lit.) | |
| Molecular Formula | C5H5N3O | Melting Point | 5-6ºC(lit.) | |
| MSDS | N/A | Flash Point | 185 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Amino-2-methyloxazole-4-carbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.29 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 187ºC(lit.) |
| Melting Point | 5-6ºC(lit.) |
| Molecular Formula | C5H5N3O |
| Molecular Weight | 123.11300 |
| Flash Point | 185 °F |
| Exact Mass | 123.04300 |
| PSA | 75.84000 |
| LogP | 1.01808 |
| Vapour Pressure | 0.3 mm Hg ( 20 °C) |
| Index of Refraction | n20/D 1.480(lit.) |
| InChIKey | OVIXKBXQNCJGDG-UHFFFAOYSA-N |
| SMILES | Cc1nc(C#N)c(N)o1 |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T+ |
|---|---|
| Risk Phrases | 22-24-26-33 |
| Safety Phrases | 36/37/39-45 |
| RIDADR | UN 2948 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | XU9180000 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~61%
3-aminobenzotri... CAS#:5098-16-8 |
| Literature: Freeman, Fillmore; Kim, Darrick S. H. L. Tetrahedron Letters, 1989 , vol. 30, # 20 p. 2631 - 2632 |
|
~%
3-aminobenzotri... CAS#:5098-16-8 |
| Literature: Ferris,J.P.; Orgel,L.E. Journal of the American Chemical Society, 1966 , vol. 88, p. 3829 - 3831 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
![Oxazolo[5,4-d]pyrimidin-7-amine,2-methyl structure](https://image.chemsrc.com/caspic/114/25680-37-9.png)
CAS#:25680-37-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00007797 |
| 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
| EINECS 202-643-4 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: LogP of 5-Amino-2-methyloxazole-4-carbonitrile is 1.01808. |
| Q: What are the downstream products of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Related downstream products(CAS) of 5-Amino-2-methyloxazole-4-carbonitrile: 25680-37-9. |
| Q: What is the polar surface area (PSA) of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Polar surface area (PSA) of 5-Amino-2-methyloxazole-4-carbonitrile is 75.84000. |
| Q: What is the safety information for 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Safety information for 5-Amino-2-methyloxazole-4-carbonitrile: 36/37/39-45. |
| Q: What is the InChIKey of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: InChIKey of 5-Amino-2-methyloxazole-4-carbonitrile is OVIXKBXQNCJGDG-UHFFFAOYSA-N. |
| Q: What is the melting point of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Melting point of 5-Amino-2-methyloxazole-4-carbonitrile is 5-6ºC(lit.). |
| Q: What is the molecular weight of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Molecular weight of 5-Amino-2-methyloxazole-4-carbonitrile is 123.11300. |
| Q: What are the upstream materials of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: Related upstream materials(CAS) of 5-Amino-2-methyloxazole-4-carbonitrile: 5098-14-6;75-36-5;5181-05-5;108-24-7. |
| Q: What is the SMILES notation of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: SMILES notation of 5-Amino-2-methyloxazole-4-carbonitrile is Cc1nc(C#N)c(N)o1. |
| Q: What is the CAS number of 5-Amino-2-methyloxazole-4-carbonitrile? |
| A: CAS number of 5-Amino-2-methyloxazole-4-carbonitrile is 5098-16-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 3-aminobenzotrifluoride
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 5-Amino-2-methyl-4-oxazolecarbonitrile
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 3-aminobenzotrifluoride
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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