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Page 142
>> Isothiocyanato-Cyclohexane
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Isothiocyanato-Cyclohexane [1122-82-3]
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Name |
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Isothiocyanato-Cyclohexane |
Synonyms |
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Cyclohexane, Isothiocyanato-; Cyclohexyl Isothiocyanate; Cyclohexyl Isothiocyanate, Isothiocyanato- |
Molecular Formula |
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C7H11NS |
Molecular Weight |
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141.23 |
CAS Registry Number |
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1122-82-3 |
EINECS |
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214-361-9 |
SMILES |
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S=C=NC1CCCCC1 |
InChI |
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1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
InChIKey |
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MZSJGCPBOVTKHR-UHFFFAOYSA-N |
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Properties
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Desity |
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1.033 (Expl.) |
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1.1±0.1g/cm3 (Cal.) |
Boiling point |
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218.999°C at 760 mmHg (Cal.) |
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219°C (Expl.) |
Flash point |
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95°C (Expl.) |
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95.556°C (Cal.) |
Refractive index |
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1.538 (Expl.) |
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Safety Data
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Safety Code |
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S26;S36/37/39;S45 Details |
Risk Code |
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R20/21/22;R34 Details |
Hazard Symbol |
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X;C Details |
Transport Information |
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UN2922 |
Safety Description |
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DANGER: CORROSIVE, POISON, irritates skin and eyes |
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DANGER: CORROSIVE, POISON, burns skin and eyes |
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References
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(1)
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Jacek Gawronski, Marcin Kwit and Pawel Skowronek. Thiourea and isothiocyanate – two useful chromophores for stereochemical studies. A comparison of experiment and computation, Org. Biomol. Chem., 2009, 7, 1562.
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