2,2-Diphenylacetonitrile
2,2-Diphenylacetonitrile structure
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Common Name | 2,2-Diphenylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 86-29-3 | Molecular Weight | 193.24 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 322.3±0.0 °C at 760 mmHg | |
| Molecular Formula | C14H11N | Melting Point | 71-73 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 151.6±5.7 °C | |
Use of 2,2-Diphenylacetonitrile2,2-Diphenylacetonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
Summary: Diphenylacetonitrile, also known as 2,2-Diphenylacetonitrile, has a CAS number of 86-29-3, with a molecular formula of C14H11N and a molecular weight of 193.24. It appears as a white crystalline substance with a melting point of 71-73°C, boiling point of 322.3°C, and density of 1.1g/cm³. It is used in organic synthesis, such as producing胃胺、苯乙哌啶、类散痛等药物, and also as a herbicide. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Diphenylacetonitrile |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2,2-Diphenylacetonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | 二苯基乙腈用作除草剂和工业中间体。 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 322.3±0.0 °C at 760 mmHg |
| Melting Point | 71-73 °C(lit.) |
| Molecular Formula | C14H11N |
| Molecular Weight | 193.24 |
| Flash Point | 151.6±5.7 °C |
| Exact Mass | 193.089142 |
| PSA | 23.79000 |
| LogP | 3.30 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.585 |
| InChIKey | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
| SMILES | N#CC(c1ccccc1)c1ccccc1 |
| Water Solubility | INSOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | AL9800000 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:108-86-1
CAS#:75-05-8
CAS#:140-29-4
CAS#:108-90-7
CAS#:117-34-0
CAS#:4695-13-0
CAS#:7677-24-9
CAS#:90-99-3
CAS#:5798-79-8
CAS#:71-43-2
CAS#:3469-00-9
CAS#:3678-70-4
CAS#:3678-72-6
CAS#:14474-50-1
CAS#:14702-32-0
CAS#:3963-62-0
CAS#:947-91-1
CAS#:17518-50-2
CAS#:101-81-5
CAS#:103098-02-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Quantitative gas chromatographic analysis of 3-cyano-3,3-diphenylpropionic acid, the acidic metabolite of bezitramide (Burgodin), in urine.
J. Anal. Toxicol. 20(3) , 159-64, (1996) A sensitive gas chromatographic procedure with nitrogen-phosphorus detection was developed for the quantitative determination of 3-cyano-3,3-diphenylpropionic acid, the acidic metabolite of the narcot... |
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Preparation of diphenylacetonitrile.
J. Am. Chem. Soc. 70(10) , 3515, (1948)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| α-Phenylphenylacetonitrile |
| Benzhydryl cyanide |
| a-Cyanodiphenylmethane |
| UNII:QK4W106TKU |
| Diphenyl-α-cyanomethane |
| α-Cyanodiphenylmethane |
| α-Phenylbenzylcyanide |
| a-Phenylbenzeneacetonitrile |
| a-Phenylbenzyl cyanide |
| 2,2-Diphenylacetonitrile |
| a-Phenylphenylacetonitrile |
| EINECS 201-662-5 |
| MFCD00001862 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of Diphenylacetonitrile? |
| A: Melting point of Diphenylacetonitrile is 71-73 °C(lit.). |
| Q: What are the downstream products of Diphenylacetonitrile? |
| A: Related downstream products(CAS) of Diphenylacetonitrile: 3469-00-9;3678-70-4;3678-72-6;14474-50-1;14702-32-0;3963-62-0;947-91-1;17518-50-2;101-81-5;103098-02-8. |
| Q: What is the CAS number of Diphenylacetonitrile? |
| A: CAS number of Diphenylacetonitrile is 86-29-3. |
| Q: What is the boiling point of Diphenylacetonitrile? |
| A: Boiling point of Diphenylacetonitrile is 322.3±0.0 °C at 760 mmHg. |
| Q: How is the water solubility of Diphenylacetonitrile? |
| A: Water solubility of Diphenylacetonitrile: INSOLUBLE. |
| Q: What is the polar surface area (PSA) of Diphenylacetonitrile? |
| A: Polar surface area (PSA) of Diphenylacetonitrile is 23.79000. |
| Q: What is the SMILES notation of Diphenylacetonitrile? |
| A: SMILES notation of Diphenylacetonitrile is N#CC(c1ccccc1)c1ccccc1. |
| Q: What English synonyms does Diphenylacetonitrile have? |
| A: English synonyms of Diphenylacetonitrile: α-Phenylphenylacetonitrile, Benzhydryl cyanide, a-Cyanodiphenylmethane, UNII:QK4W106TKU, Diphenyl-α-cyanomethane, α-Cyanodiphenylmethane, α-Phenylbenzylcyanide, a-Phenylbenzeneacetonitrile, a-Phenylbenzyl cyanide, 2,2-Diphenylacetonitrile, a-Phenylphenylacetonitrile, EINECS 201-662-5, MFCD00001862. |
| Q: What is the molecular formula of Diphenylacetonitrile? |
| A: Molecular formula of Diphenylacetonitrile is C14H11N. |
| Q: What is the molecular weight of Diphenylacetonitrile? |
| A: Molecular weight of Diphenylacetonitrile is 193.24. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 2,2-Diphenylacetonitrile
- Price: Check
- Purity: 99.5%
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Diphenylacetonitrile
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
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- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: Diphenylacetonitrile
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 2,2-Diphenylacetonitrile
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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