ChemicalBook--->CAS DataBase List--->590-42-1

590-42-1

590-42-1 Structure

590-42-1 Structure
IdentificationMore
[Name]

TERT-BUTYL ISOTHIOCYANATE
[CAS]

590-42-1
[Synonyms]

AKOS BC-1285
BUTYL ISOTHIOCYANATE, TERT-
T-BUTYL ISOTHIOCYANATE
TERT-BUTYL ISOTHIOCYANATE
2-isothiocyanato-2-methyl-propan
2-Isothiocyanato-2-methylpropane
Isothiocyanic acid, tert-butyl ester
Propane, 2-isothiocyanato-2-methyl-
BUTYL ISOTHIOCYANATE, TERT-(SG)
1,1-Dimethylethyl isothiocyanate
[EINECS(EC#)]

209-682-6
[Molecular Formula]

C5H9NS
[MDL Number]

MFCD00004816
[Molecular Weight]

115.2
[MOL File]

590-42-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
[Melting point ]

8-11 °C
[Boiling point ]

141-145 °C
[density ]

0.908
[refractive index ]

1.4795-1.4815
[Fp ]

38 °C
[storage temp. ]

Flammables area
[form ]

liquid
[Specific Gravity]

0.915 (20/4℃)
[Water Solubility ]

Reacts with water.
[Sensitive ]

Moisture Sensitive
[BRN ]

1361854
[CAS DataBase Reference]

590-42-1(CAS DataBase Reference)
[EPA Substance Registry System]

Propane, 2-isothiocyanato-2-methyl- (590-42-1)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R34:Causes burns.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R10:Flammable.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
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 .
S16:Keep away from sources of ignition-No smoking .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

2929
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

2930909899
Raw materials And Preparation ProductsBack Directory
[Raw materials]

tert-Butanol-->Ammonium thiocyanate-->Storage sump
[Preparation Products]

N-T-BUTYL-N'-ISOPROPYLTHIOUREA-->1-tert-Butyl-1H-imidazole
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
[Uses]

tert-Butyl isothiocyanate is a tool for the modification of the pore sizes on the top layer of heterostructured surface mounted metal-organic frameworks.
[Synthesis Reference(s)]

Tetrahedron Letters, 34, p. 8283, 1993 DOI: 10.1016/S0040-4039(00)61411-9
[General Description]

Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling.
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYL ISOTHIOCYANATE(590-42-1)MS
TERT-BUTYL ISOTHIOCYANATE(590-42-1)1HNMR
TERT-BUTYL ISOTHIOCYANATE(590-42-1)13CNMR
TERT-BUTYL ISOTHIOCYANATE(590-42-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butyl isothiocyanate, 99%(590-42-1)
[Alfa Aesar]

tert-Butyl isothiocyanate, 97%(590-42-1)
[Sigma Aldrich]

590-42-1(sigmaaldrich)
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