Introduction:Basic information about CAS 544-25-2|Cycloheptatriene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cycloheptatriene |
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| CAS Number | 544-25-2 | Molecular Weight | 92.13840 |
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| Density | 0.888 g/mL at 25 °C(lit.) | Boiling Point | 116-117 °C(lit.) |
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| Molecular Formula | C7H8 | Melting Point | -79.5°C |
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| MSDS | / | Flash Point | 80 °F |
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Names
| Name | cyclohepta-1,3,5-triene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.888 g/mL at 25 °C(lit.) |
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| Boiling Point | 116-117 °C(lit.) |
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| Melting Point | -79.5°C |
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| Molecular Formula | C7H8 |
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| Molecular Weight | 92.13840 |
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| Flash Point | 80 °F |
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| Exact Mass | 92.06260 |
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| LogP | 2.05870 |
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| Index of Refraction | n20/D 1.519(lit.) |
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| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
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| SMILES | C1=CC=CCC=C1 |
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| Water Solubility | insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GU3675000
- CHEMICAL NAME :
- 1,3,5-Cycloheptatriene
- CAS REGISTRY NUMBER :
- 544-25-2
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C7-H8
- MOLECULAR WEIGHT :
- 92.15
- WISWESSER LINE NOTATION :
- L7 AHJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 57 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar constriction Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 442 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 171 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar constriction Blood - hemorrhage
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 153,57,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4420 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)
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Safety Information
| Hazard Codes | F:Flammable;T:Toxic; |
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| Risk Phrases | R11;R25;R36/37/38;R65 |
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| Safety Phrases | S16-S26-S36/37/39-S45-S62 |
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| RIDADR | UN 2603 3/PG 2 |
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| WGK Germany | 3 |
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| RTECS | GU3675000 |
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| Packaging Group | II |
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| Hazard Class | 3 |
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| HS Code | 29021990 |
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Customs
| HS Code | 2902199090 |
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| Summary | 2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
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Synonyms
| EINECS 208-866-3 |
| Cycloheptatriene |
| MFCD00004146 |