(R)-(+)-3-METHYLSUCCINICACID1-MONOMETHYLESTER
(R)-(+)-3-METHYLSUCCINICACID1-MONOMETHYLESTER structure
|
Common Name | (R)-(+)-3-METHYLSUCCINICACID1-MONOMETHYLESTER | ||
|---|---|---|---|---|
| CAS Number | 97070-73-0 | Molecular Weight | 163.17300 | |
| Density | 1.183g/cm3 | Boiling Point | 334.4ºC at 760mmHg | |
| Molecular Formula | C9H9NO2 | Melting Point | 84-87ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 156.1ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: (R)-(+)-3-METHYLSUCCINICACID1-MONOMETHYLESTER, also known as (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile, with CAS number 97070-73-0, has a molecular formula of C9H9NO2 and a molecular weight of 163.17300. 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 | (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile |
|---|---|
| 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 | 1.183g/cm3 |
|---|---|
| Boiling Point | 334.4ºC at 760mmHg |
| Melting Point | 84-87ºC(lit.) |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.17300 |
| Flash Point | 156.1ºC |
| Exact Mass | 163.06300 |
| PSA | 53.25000 |
| LogP | 1.25218 |
| Index of Refraction | 1.55 |
| InChIKey | WLDAAMXETLHTER-VIFPVBQESA-N |
| SMILES | COc1ccc(C(O)C#N)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 20/21/22-36/37/38 |
| Safety Phrases | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| 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 1 | |
CAS#:7677-24-9
CAS#:123-11-5![(R)-(+)-α-[(trimethylsilyl)oxy]-4-methoxybenzeneacetonotrile Structure](https://image.chemsrc.com/caspic/411/120390-74-1.png)
CAS#:120390-74-1
CAS#:74-90-8
CAS#:75-86-5
CAS#:151-50-8
CAS#:773837-37-9![(R)-(+)-α-[(tert-butyldimethylsilyl)oxy]-α-(4-methoxyphenyl)acetonitrile Structure](https://image.chemsrc.com/caspic/335/120390-76-3.png)
CAS#:120390-76-3![α-[(trimethylsilyl)oxy]-α-(p-methoxyphenyl)acetonitrile Structure](https://image.chemsrc.com/caspic/344/66985-48-6.png)
CAS#:66985-48-6
CAS#:108-05-4
CAS#:46084-23-5This 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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Kruse, C.G. In Collins, A.N. Sheldrake, G.N. Crosby, J., Eds.
Chirality in Industry Chichester, UK , (1992), 279
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (R)-(+)-4-Methoxymandelonitrile |
| (2R)-2-hydroxy-2-(4-methoxyphenyl)ethanenitrile |
| (R)-2-hydroxy-p-methoxyphenylacetonitrile |
| MFCD01321258 |
| (R)-(+)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile |
| InChI=1/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: SMILES notation of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(O)C#N)cc1. |
| Q: What is the molecular formula of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Molecular formula of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is C9H9NO2. |
| Q: What is the molecular weight of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Molecular weight of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is 163.17300. |
| Q: What is the CAS number of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: CAS number of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is 97070-73-0. |
| Q: What is the safety information for (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Safety information for (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile: 26-37/39. |
| Q: What are the downstream products of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Related downstream products(CAS) of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile: 46084-23-5. |
| Q: What is the InChIKey of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: InChIKey of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is WLDAAMXETLHTER-VIFPVBQESA-N. |
| Q: What is the melting point of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Melting point of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is 84-87ºC(lit.). |
| Q: What is the LogP of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: LogP of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile is 1.25218. |
| Q: What are the upstream materials of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile? |
| A: Related upstream materials(CAS) of (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile: 7677-24-9;123-11-5;120390-74-1;74-90-8;75-86-5;151-50-8;773837-37-9;120390-76-3;66985-48-6;108-05-4. |
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. |