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Name |
1,1,3,3-Tetramethylbutyl isocyanate |
EINECS | N/A | ||||||||||||||
CAS No. | 1611-57-0 | Density | 0.83g/cm3 | ||||||||||||||
PSA | 29.43000 | LogP | 2.53700 | ||||||||||||||
Solubility | N/A | Melting Point |
N/A |
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Formula | C9H17 N O | Boiling Point | 183°Cat760mmHg | ||||||||||||||
Molecular Weight | 155.24 | Flash Point | 62.6°C | ||||||||||||||
Transport Information | N/A | Appearance | N/A | ||||||||||||||
Safety |
|
Risk Codes | 10-20/21/22-36/37/38 | ||||||||||||||
Molecular Structure | Hazard Symbols | ||||||||||||||||
Synonyms |
Isocyanicacid, 1,1,3,3-tetramethylbutyl ester (6CI,7CI,8CI); 1,1,3,3-Tetramethylbutylisocyanate; 2,2,4-Trimethylpentan-4-yl isocyanate;2-Isocyanato-2,4,4-trimethylpentane; NSC 6402; tert-Octyl isocyanate |
Article Data | 10 |
Molecular Structure of 1,1,3,3-Tetramethylbutyl isocyanate (CAS No.1611-57-0):
Molecular Formula: C9H17NO
Molecular Weight: 155.23738
CAS No: 1611-57-0
IUPAC Name: 2-Isocyanato-2,4,4-trimethylpentane
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 29.43 Å2
Index of Refraction: 1.431
Molar Refractivity: 48.06 cm3
Molar Volume: 185.6 cm3
Surface Tension: 26 dyne/cm
Density: 0.83 g/cm3
Flash Point: 62.6 °C
Enthalpy of Vaporization: 41.93 kJ/mol
Boiling Point: 183 °C at 760 mmHg
Vapour Pressure: 0.787 mmHg at 25°C
InChI: InChI=1/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey: XOHBENIMDRFUIH-UHFFFAOYAT
Std. InChI: InChI=1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
Std. InChIKey: XOHBENIMDRFUIH-UHFFFAOYSA-N
Hazard Codes:Xn
Risk Statements:10-20/21/22-36/37/38
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:6-23-26-36/37/39
S6:Keep under ... (there follows the name of an inert gas).
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:UN 3080 6.1/PG 2
WGK Germany:3
HazardClass:6.1
PackingGroup:II
1,1,3,3-Tetramethylbutyl isocyanate (CAS No.1611-57-0), its synonyms are Tert-octyl isocyanate ; 1,1,3,3-Tetramethylbutyl isocyanate ; 2,4,4-Ttrimethyl-2-pentyl isocyanate ; 2-Isocyanato-2,4,4-trimethylpentane