Introduction：Basic information about CAS 100-45-8|4-Cyanocyclohexene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Cyanocyclohexene |
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| CAS Number | 100-45-8 | Molecular Weight | 107.153 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 200.9±29.0 °C at 760 mmHg |
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| Molecular Formula | C7H9N | Melting Point | / |
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| MSDS | / | Flash Point | 65.8±17.1 °C |
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Names
| Name | 4-Cyano-1-cyclohexene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 200.9±29.0 °C at 760 mmHg |
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| Molecular Formula | C7H9N |
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| Molecular Weight | 107.153 |
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| Flash Point | 65.8±17.1 °C |
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| Exact Mass | 107.073502 |
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| PSA | 23.79000 |
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| LogP | 1.30 |
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| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
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| Index of Refraction | 1.481 |
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| InChIKey | GYBNBQFUPDFFQX-UHFFFAOYSA-N |
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| SMILES | N#CC1CC=CCC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GW2625000
- CHEMICAL NAME :
- 3-Cyclohexene-1-carbonitrile
- CAS REGISTRY NUMBER :
- 100-45-8
- BEILSTEIN REFERENCE NO. :
- 0636074
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H9-N
- MOLECULAR WEIGHT :
- 107.17
- WISWESSER LINE NOTATION :
- L6UTJ DCN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 460 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 124 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 9460 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 20/21/22-36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | 3276 |
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| RTECS | GW2625000 |
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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-CYANO-1-CYCLOHEXENE |
| 1,2,3,6-Tetrahydrobenzonitrile |
| 4-Cyanocyclohexene |
| Cyclohex-3-ene-1-carbonitrile |
| MFCD00013778 |
| 3-Cyclohexene-1-carbonitrile |
| 3-Cyclohexenecarbonitrile |
