2,6-DIETHYLPHENYL ISOCYANATE
2,6-DIETHYLPHENYL ISOCYANATE structure
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Common Name | 2,6-DIETHYLPHENYL ISOCYANATE | ||
|---|---|---|---|---|
| CAS Number | 20458-99-5 | Molecular Weight | 175.22700 | |
| Density | 1.014 | Boiling Point | 115ºC (1 torr) | |
| Molecular Formula | C11H13NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 93.8ºC | |
Summary: 2,6-DIETHYLPHENYL ISOCYANATE, Chinese name: 2,6-二乙基异氰酸苯酯, CAS number: 20458-99-5, molecular formula: C11H13NO, molecular weight: 175.22700. 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 | 1,3-diethyl-2-isocyanatobenzene |
|---|---|
| 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 | 1.014 |
|---|---|
| Boiling Point | 115ºC (1 torr) |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.22700 |
| Flash Point | 93.8ºC |
| Exact Mass | 175.10000 |
| PSA | 29.43000 |
| LogP | 2.77870 |
| Vapour Pressure | 0.0127mmHg at 25°C |
| Index of Refraction | n20/D 1.528(lit.) |
| InChIKey | AUSRFKVPUCQCCN-UHFFFAOYSA-N |
| SMILES | CCc1cccc(CC)c1N=C=O |
| Storage condition | 2-8°C |
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.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R23/25;R36/37/38;R42 |
| Safety Phrases | S23-S26-S36/37/39-S45 |
| RIDADR | UN 2206 6.1/PG 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2929109000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~74%
2,6-DIETHYLPHEN... CAS#:20458-99-5 |
| Literature: Saylik, Dilek; Horvath, Michael J.; Elmes, Patricia S.; Jackson, W. Roy; Lovel, Craig G.; Moody, Keith Journal of Organic Chemistry, 1999 , vol. 64, # 11 p. 3940 - 3946 |
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~99%
2,6-DIETHYLPHEN... CAS#:20458-99-5 |
| Literature: Kakuta, Hiroki; Tanatani, Aya; Nagasawa, Kazuo; Hashimoto, Yuichi Chemical and pharmaceutical bulletin, 2003 , vol. 51, # 11 p. 1273 - 1282 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Direct activation of human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit beta-2
External Id: CHEMBL678910
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Name: Loss of righting reflex (LORR) in tadpoles was determined for anesthetic activity
Source: ChEMBL
Target: Xenopus laevis
External Id: CHEMBL858286
|
|
Name: Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-be...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit beta-2
External Id: CHEMBL678911
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,6-Diethylphenylisocyanate |
| 2,6-diethylbenzenisocyanate |
| 2,6-Diaethyl-phenylisocyanat |
| MFCD00019912 |
| 1,3-diethyl-2-isocyanato-benzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for 1,3-diethyl-2-isocyanatobenzene? |
| A: Storage conditions for 1,3-diethyl-2-isocyanatobenzene: 2-8°C. |
| Q: What is the InChIKey of 1,3-diethyl-2-isocyanatobenzene? |
| A: InChIKey of 1,3-diethyl-2-isocyanatobenzene is AUSRFKVPUCQCCN-UHFFFAOYSA-N. |
| Q: What is the boiling point of 1,3-diethyl-2-isocyanatobenzene? |
| A: Boiling point of 1,3-diethyl-2-isocyanatobenzene is 115ºC (1 torr). |
| Q: What is the SMILES notation of 1,3-diethyl-2-isocyanatobenzene? |
| A: SMILES notation of 1,3-diethyl-2-isocyanatobenzene is CCc1cccc(CC)c1N=C=O. |
| Q: What is the LogP of 1,3-diethyl-2-isocyanatobenzene? |
| A: LogP of 1,3-diethyl-2-isocyanatobenzene is 2.77870. |
| Q: What is the CAS number of 1,3-diethyl-2-isocyanatobenzene? |
| A: CAS number of 1,3-diethyl-2-isocyanatobenzene is 20458-99-5. |
| Q: What is the polar surface area (PSA) of 1,3-diethyl-2-isocyanatobenzene? |
| A: Polar surface area (PSA) of 1,3-diethyl-2-isocyanatobenzene is 29.43000. |
| Q: What English synonyms does 1,3-diethyl-2-isocyanatobenzene have? |
| A: English synonyms of 1,3-diethyl-2-isocyanatobenzene: 2,6-Diethylphenylisocyanate, 2,6-diethylbenzenisocyanate, 2,6-Diaethyl-phenylisocyanat, MFCD00019912, 1,3-diethyl-2-isocyanato-benzene. |
| Q: What is the English name of 1,3-diethyl-2-isocyanatobenzene? |
| A: The English name of 1,3-diethyl-2-isocyanatobenzene is 1,3-diethyl-2-isocyanatobenzene. |
| Q: What is the molecular formula of 1,3-diethyl-2-isocyanatobenzene? |
| A: Molecular formula of 1,3-diethyl-2-isocyanatobenzene is C11H13NO. |
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. |