Introduction：Basic information about CAS 5586-70-9|Hexane,1,6-diisothiocyanato-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Hexane,1,6-diisothiocyanato- |
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| CAS Number | 5586-70-9 | Molecular Weight | 200.32400 |
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| Density | 1.06g/cm3 | Boiling Point | 326.8ºC at 760mmHg |
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| Molecular Formula | C8H12N2S2 | Melting Point | 183ºC |
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| MSDS | / | Flash Point | 158.5ºC |
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Names
| Name | 1,6-Hexane diisothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.06g/cm3 |
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| Boiling Point | 326.8ºC at 760mmHg |
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| Melting Point | 183ºC |
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| Molecular Formula | C8H12N2S2 |
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| Molecular Weight | 200.32400 |
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| Flash Point | 158.5ºC |
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| Exact Mass | 200.04400 |
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| PSA | 88.90000 |
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| LogP | 2.75240 |
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| Index of Refraction | 1.552 |
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| InChIKey | VZZPYUKWXDLMGI-UHFFFAOYSA-N |
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| SMILES | S=C=NCCCCCCN=C=S |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8763000
- CHEMICAL NAME :
- Isothiocyanic acid, hexamethylene ester
- CAS REGISTRY NUMBER :
- 5586-70-9
- BEILSTEIN REFERENCE NO. :
- 1765297
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H12-N2-S2
- MOLECULAR WEIGHT :
- 200.34
- WISWESSER LINE NOTATION :
- SCN6NCS
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08108
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Safety Information
Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 1,6-diisothiocyanatohexane |
