590-42-1

Name TERT-BUTYL ISOTHIOCYANATE
CAS 590-42-1
EINECS(EC#) 209-682-6
Molecular Formula C5H9NS
MDL Number MFCD00004816
Molecular Weight 115.2
MOL File 590-42-1.mol
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Chemical Properties

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
InChI InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
SMILES CC(N=C=S)(C)C
CAS DataBase Reference 590-42-1(CAS DataBase Reference)
EPA Substance Registry System Propane, 2-isothiocyanato-2-methyl- (590-42-1)

Safety Data

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
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
STOT SE 3

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