Diethoxyacetonitrile
Diethoxyacetonitrile structure
|
Common Name | Diethoxyacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 6136-93-2 | Molecular Weight | 129.157 | |
| Density | 0.963±0.06 g/cm3 | Boiling Point | 167.1±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H11NO2 | Melting Point | -19--18ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 49.4±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,2-Diethoxyacetonitrile |
|---|---|
| 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 | 0.963±0.06 g/cm3 |
|---|---|
| Boiling Point | 167.1±0.0 °C at 760 mmHg |
| Melting Point | -19--18ºC(lit.) |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.157 |
| Flash Point | 49.4±0.0 °C |
| Exact Mass | 129.078979 |
| PSA | 42.25000 |
| LogP | 1.30 |
| Vapour Pressure | 1.7±0.3 mmHg at 25°C |
| Index of Refraction | 1.3978 (589.3 nm 20 ºC) |
| InChIKey | UDELMRIGXNCYLU-UHFFFAOYSA-N |
| SMILES | CCOC(C#N)OCC |
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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H302-H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn |
| Risk Phrases | R10 |
| Safety Phrases | S16-S26-S27-S36-S37-S39 |
| RIDADR | UN 1993 3/PG 3 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~88%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Inami; Shiba Bulletin of the Chemical Society of Japan, 1985 , vol. 58, # 1 p. 352 - 360 |
|
~83%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Utimoto, Kiitiro; Wakabayashi, Yukio; Horiie,Takafumi; Inoue, Masaharu; Shishiyama, Yuho; et al. Tetrahedron, 1983 , vol. 39, # 6 p. 967 - 974 |
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~%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Heterocycles, , vol. 13, p. 175 - 180 |
|
~%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Journal of the American Chemical Society, , vol. 73, p. 1338 |
|
~%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Bulletin de la Societe Chimique de France, , # 1 p. 95 - 100 |
|
~%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 635, p. 1 - 21 |
|
~%
Diethoxyacetonitrile CAS#:6136-93-2 |
| Literature: Chemische Berichte, , vol. 95, p. 1859 - 1862 |
|
~%
Diethoxyacetonitrile CAS#:6136-93-2
Detail
Learn More
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| Literature: Journal of the American Chemical Society, , vol. 69, p. 2660 |
![2-methyl-[1,3]dioxolane-2-carbonitrile structure](https://image.chemsrc.com/caspic/390/100313-60-8.png)
This 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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2, 2-Dialkoxyalkanenitriles. Erickson JG.
J. Am. Chem. Soc. 73(3) , 1338-39, (1951)
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An efficient synthesis of 5-diethoxymethylimidazole-4-carboxylate, a potential precursor for various imidazole derivatives. Murakami T, et al.
Tetrahedron Lett. 23(45) , 4729-32, (1982)
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An anomalous Houben-Hoesch reaction and some applications in arylation reactions. Sanchez-Viesca F, et al.
Organic Prep. and Proc. Int. 36(2) , 135-40, (2004)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00043982 |
| Diethoxyacetonitrile |
| EINECS 228-111-1 |
| 2,2-diethoxyacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2,2-Diethoxyacetonitrile? |
| A: InChIKey of 2,2-Diethoxyacetonitrile is UDELMRIGXNCYLU-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2,2-Diethoxyacetonitrile? |
| A: Molecular weight of 2,2-Diethoxyacetonitrile is 129.157. |
| Q: What English synonyms does 2,2-Diethoxyacetonitrile have? |
| A: English synonyms of 2,2-Diethoxyacetonitrile: MFCD00043982, Diethoxyacetonitrile, EINECS 228-111-1, 2,2-diethoxyacetonitrile. |
| Q: What is the English name of 2,2-Diethoxyacetonitrile? |
| A: The English name of 2,2-Diethoxyacetonitrile is 2,2-Diethoxyacetonitrile. |
| Q: What is the LogP of 2,2-Diethoxyacetonitrile? |
| A: LogP of 2,2-Diethoxyacetonitrile is 1.30. |
| Q: What is the boiling point of 2,2-Diethoxyacetonitrile? |
| A: Boiling point of 2,2-Diethoxyacetonitrile is 167.1±0.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2,2-Diethoxyacetonitrile? |
| A: Polar surface area (PSA) of 2,2-Diethoxyacetonitrile is 42.25000. |
| Q: What is the SMILES notation of 2,2-Diethoxyacetonitrile? |
| A: SMILES notation of 2,2-Diethoxyacetonitrile is CCOC(C#N)OCC. |
| Q: What is the safety information for 2,2-Diethoxyacetonitrile? |
| A: Safety information for 2,2-Diethoxyacetonitrile: S16-S26-S27-S36-S37-S39. |
| Q: What is the CAS number of 2,2-Diethoxyacetonitrile? |
| A: CAS number of 2,2-Diethoxyacetonitrile is 6136-93-2. |
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. |