Introduction：Basic information about CAS 2396-63-6|1,6-HEPTADIYNE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,6-HEPTADIYNE |
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| CAS Number | 2396-63-6 | Molecular Weight | 92.138 |
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| Density | 0.8±0.1 g/cm3 | Boiling Point | 112.2±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H8 | Melting Point | -85 °C |
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| MSDS | / | Flash Point | 6.8±4.1 °C |
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Names
| Name | hepta-1,6-diyne |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
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| Boiling Point | 112.2±13.0 °C at 760 mmHg |
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| Melting Point | -85 °C |
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| Molecular Formula | C7H8 |
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| Molecular Weight | 92.138 |
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| Flash Point | 6.8±4.1 °C |
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| Exact Mass | 92.062599 |
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| LogP | 1.76 |
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| Vapour Pressure | 25.9±0.1 mmHg at 25°C |
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| Index of Refraction | 1.452 |
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| InChIKey | RSPZSDWVQWRAEF-UHFFFAOYSA-N |
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| SMILES | C#CCCCC#C |
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| Storage condition | Refrigerator (+4°C) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI5600000
- CHEMICAL NAME :
- 1,6-Heptadiyne
- CAS REGISTRY NUMBER :
- 2396-63-6
- BEILSTEIN REFERENCE NO. :
- 1731756
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H8
- MOLECULAR WEIGHT :
- 92.15
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 19,389,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 3830 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - nausea or vomiting Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 19,389,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2620 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 19,389,1960
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Safety Information
| Hazard Codes | F: Flammable; |
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| Risk Phrases | R11 |
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| Safety Phrases | S16-S29-S33 |
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| RIDADR | UN 3295 3/PG 2 |
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| WGK Germany | 2 |
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| RTECS | MI5600000 |
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| Packaging Group | II |
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| Hazard Class | 3 |
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| HS Code | 2901299090 |
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Customs
| HS Code | 2901299090 |
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| Summary | 2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
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Synonyms
| 1,6-heptanediyne |
| 1,6-heptadiine |
| 1,3-heptadiyne |
| 1-6-n-heptadiyne |
| EINECS 219-253-5 |
| 1,7-heptadiyne |
| MFCD00014925 |
| hepta-1,6-diyne |
| 1,6-HEPTADIYNE |
