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1122-82-3

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1122-82-3 Structure

1122-82-3 Structure

Identification	More
[Name] CYCLOHEXYL ISOTHIOCYANATE
[CAS] 1122-82-3
[Synonyms] 1-ISOTHIOCYANATOCYCLOHEXANE AKOS BBS-00004439 CYCLOHEXYL ISOTHIOCYANATE ISOTHIOCYANIC ACID CYCLOHEXYL ESTER Cyclohexane isothiocyanate Cyclohexane, isothiocyanato- Cyclohexyl isothiocyanate, isothiocyanato- Cyclohexyl-isothiocyanat isothiocyanato-cyclohexan Isothiocyanatocyclohexane Isothiocyanato-cyclohexane Isothiocyanocyclohexane
[EINECS(EC#)] 214-361-9
[Molecular Formula] C7H11NS
[MDL Number] MFCD00003841
[Molecular Weight] 141.23
[MOL File] 1122-82-3.mol

Chemical Properties	Back Directory
[Appearance] clear colorless liquid
[Melting point ] 85 °C
[Boiling point ] 219 °C (lit.)
[density ] 1.033
[refractive index ] 1.536-1.538
[Fp ] 95 °C
[solubility ] Chloroform, Ethyl Acetate (Slightly)
[form ] clear liquid
[color ] Colorless to Light yellow to Light orange
[Specific Gravity] 1.00
[Sensitive ] Moisture Sensitive
[BRN ] 774525
[LogP] 3.106 (est)
[CAS DataBase Reference] 1122-82-3(CAS DataBase Reference)
[EPA Substance Registry System] Cyclohexane, isothiocyanato- (1122-82-3)

Safety Data	Back Directory
[Hazard Codes ] C
[Risk Statements ] R34:Causes burns. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R42:May cause sensitization by inhalation.
[Safety Statements ] S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S39:Wear eye/face protection . S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ] 2922
[WGK Germany ] 3
[RTECS ] NX8480000
[TSCA ] Yes
[HazardClass ] 8
[PackingGroup ] III
[HS Code ] 29309090

Hazard Information	Back Directory
[Chemical Properties] clear colorless liquid
[Uses] Isothiocyanatocyclohexane, is a versatile building blocks, used in the synthesis of many pharmaceutical and biologically active compounds. It can be used in the synthesis of Thiourea derivatives, used as antibacterial and antifungal agents.
[Synthesis Reference(s)] Tetrahedron Letters, 32, p. 3503, 1991 DOI: 10.1016/0040-4039(91)80817-P
[Toxics Screening Level] The initial threshold screening level (ITSL) for cyclohexyl isothiocyanate is 0.1 μg/m3 (annual averaging time).

Spectrum Detail	Back Directory
[Spectrum Detail] CYCLOHEXYL ISOTHIOCYANATE(1122-82-3)MS CYCLOHEXYL ISOTHIOCYANATE(1122-82-3)¹HNMR CYCLOHEXYL ISOTHIOCYANATE(1122-82-3)¹³CNMR CYCLOHEXYL ISOTHIOCYANATE(1122-82-3)IR1 CYCLOHEXYL ISOTHIOCYANATE(1122-82-3)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] Cyclohexyl isothiocyanate, 98%(1122-82-3)
[Alfa Aesar] Cyclohexyl isothiocyanate, 98%(1122-82-3)
[Sigma Aldrich] 1122-82-3(sigmaaldrich)
[TCI AMERICA] Cyclohexyl Isothiocyanate,>98.0%(GC)(1122-82-3)

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