Introduction：Basic information about CAS 1681-17-0|4-Acetyl-4-methylheptanedinitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Acetyl-4-methylheptanedinitrile |
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| CAS Number | 1681-17-0 | Molecular Weight | 178.231 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 381.3±37.0 °C at 760 mmHg |
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| Molecular Formula | C10H14N2O | Melting Point | 66-67°C |
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| MSDS | / | Flash Point | 184.4±26.5 °C |
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Names
| Name | 4-acetyl-4-methylheptanedinitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 381.3±37.0 °C at 760 mmHg |
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| Melting Point | 66-67°C |
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| Molecular Formula | C10H14N2O |
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| Molecular Weight | 178.231 |
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| Flash Point | 184.4±26.5 °C |
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| Exact Mass | 178.110611 |
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| PSA | 64.65000 |
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| LogP | -0.27 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.455 |
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| InChIKey | XWNSFEAWWGGSKJ-UHFFFAOYSA-N |
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| SMILES | CC(=O)C(C)(CCC#N)CCC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI9100000
- CHEMICAL NAME :
- Heptanedinitrile, 4-acetyl-4-methyl-
- CAS REGISTRY NUMBER :
- 1681-17-0
- BEILSTEIN REFERENCE NO. :
- 1769600
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H14-N2-O
- MOLECULAR WEIGHT :
- 178.26
- WISWESSER LINE NOTATION :
- NC2X1&V1&2CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 312 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,689,1955
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Safety Information
| Risk Phrases | R20/21/22 |
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| Safety Phrases | S22-S36/37 |
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| RIDADR | 3276 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| 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% |
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Synonyms
| 4-Acetyl-4-methylheptanedinitrile |
| 4-Methyl-4-acetyl-pimelinsaeure-dinitril |
| Heptanedinitrile, 4-acetyl-4-methyl- |
| 4-acetyl-4-methyl-heptanedinitrile |
| 2,2-Bis(β-cyanoethyl)-3-butanone |
| γ-Acetyl-γ-methylpimelonitrile |
| 2CN |
| HEPTANEDINITRILE,4-ACETYL-4-METHYL |
| MFCD00052863 |
| 3-Acetyl-3-methyl-pentan-1,5-dicarbonitril |
| 4-Acetyl-4-methylpimelonitrile |
| 4-Acetyl-4-methyl-heptandinitril |
