(E)-3-(3-nitrophenyl)prop-2-enenitrile
(E)-3-(3-nitrophenyl)prop-2-enenitrile structure
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Common Name | (E)-3-(3-nitrophenyl)prop-2-enenitrile | ||
|---|---|---|---|---|
| CAS Number | 87259-18-5 | Molecular Weight | 174.15600 | |
| Density | 1.284g/cm3 | Boiling Point | 340.9ºC at 760 mmHg | |
| Molecular Formula | C9H6N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: (E)-3-(3-nitrophenyl)prop-2-enenitrile, with CAS number 87259-18-5, has a molecular formula of C9H6N2O2 and a molecular weight of 174.16. 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 | (E)-3-(3-nitrophenyl)prop-2-enenitrile |
|---|---|
| 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 | 1.284g/cm3 |
|---|---|
| Boiling Point | 340.9ºC at 760 mmHg |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.15600 |
| Exact Mass | 174.04300 |
| PSA | 69.61000 |
| LogP | 2.65478 |
| Index of Refraction | 1.635 |
| InChIKey | YZJNQXWSVRISBC-DUXPYHPUSA-N |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C#N |
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 presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~74%
(E)-3-(3-nitrop... CAS#:87259-18-5 |
| Literature: Bumagin, N. A.; Andryukhova, N. P.; Beletskaya, I. P. Doklady Chemistry, 1990 , vol. 313, # 1.3 p. 183 - 185 Dokl. Akad. Nauk SSSR Ser. Khim., 1990 , vol. 313, # 1 p. 107 - 109 |
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~63%
(E)-3-(3-nitrop... CAS#:87259-18-5 |
| Literature: Dwivedi, Suchitra; Misra, Ram Achal Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1994 , vol. 33, # 7 p. 694 - 695 |
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~%
(E)-3-(3-nitrop... CAS#:87259-18-5 |
| Literature: Brady; Grayson Journal of the Chemical Society, 1924 , vol. 125, p. 1420 |
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~%
(E)-3-(3-nitrop... CAS#:87259-18-5 |
| Literature: Brady; Thomas Journal of the Chemical Society, 1922 , vol. 121, p. 2109 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-nitro-cinnamonitrile |
| m-nitrocinnamonitrile |
| 3-Nitro-cinnamonitril |
| CINNAMONITRILE,m-NITRO |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: LogP of (E)-3-(3-nitrophenyl)prop-2-enenitrile is 2.65478. |
| Q: What is the molecular formula of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: Molecular formula of (E)-3-(3-nitrophenyl)prop-2-enenitrile is C9H6N2O2. |
| Q: What is the polar surface area (PSA) of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: Polar surface area (PSA) of (E)-3-(3-nitrophenyl)prop-2-enenitrile is 69.61000. |
| Q: What is the molecular weight of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: Molecular weight of (E)-3-(3-nitrophenyl)prop-2-enenitrile is 174.15600. |
| Q: What are the upstream materials of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: Related upstream materials(CAS) of (E)-3-(3-nitrophenyl)prop-2-enenitrile: 645-00-1;107-13-1;99-61-6;75-05-8;1504-76-3. |
| Q: What is the InChIKey of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: InChIKey of (E)-3-(3-nitrophenyl)prop-2-enenitrile is YZJNQXWSVRISBC-DUXPYHPUSA-N. |
| Q: What is the English name of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: The English name of (E)-3-(3-nitrophenyl)prop-2-enenitrile is (E)-3-(3-nitrophenyl)prop-2-enenitrile. |
| Q: What is the boiling point of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: Boiling point of (E)-3-(3-nitrophenyl)prop-2-enenitrile is 340.9ºC at 760 mmHg. |
| Q: What is the CAS number of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: CAS number of (E)-3-(3-nitrophenyl)prop-2-enenitrile is 87259-18-5. |
| Q: What is the SMILES notation of (E)-3-(3-nitrophenyl)prop-2-enenitrile? |
| A: SMILES notation of (E)-3-(3-nitrophenyl)prop-2-enenitrile is C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C#N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |