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| CAS No.: | 2525-62-4 |
|---|---|
| Name: | Hexyl isocyanate |
| Molecular Structure: | |
|
|
|
| Formula: | C7H13 N O |
| Molecular Weight: | 127.186 |
| Synonyms: | Isocyanicacid, hexyl ester (6CI,7CI,8CI); 1-Hexyl isocyanate; 1-Isocyanatohexane; Hexylisocyanate; n-Hexyl isocyanate |
| EINECS: | 219-763-8 |
| Density: | 0.873 |
| Boiling Point: | 162-164 ºC |
| Flash Point: | 59 ºC |
| Solubility: | DECOMPOSES |
| Appearance: | Light yellow liquid. |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S37/39 |
| Transport Information: | UN 3080 |
| PSA: | 29.43000 |
| LogP: | 1.90250 |
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Chemistry
Molecular Structure of Hexyl isocyanate (CAS No.2525-62-4):
Molecular Formula: C7H13NO
Molecular Weight: 127.1842
CAS No: 2525-62-4
IUPAC Name: 1-Isocyanatohexane
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 29.43 Å2
Index of Refraction: 1.44
Molar Refractivity: 38.52 cm3
Molar Volume: 146 cm3
Surface Tension: 30.2 dyne/cm
Density: 0.87 g/cm3
Flash Point: 45.2 °C
Enthalpy of Vaporization: 36.73 kJ/mol
Boiling Point: 146.1 °C at 760 mmHg
Vapour Pressure: 5.95 mmHg at 25°C
InChI: InChI=1/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey: ANJPRQPHZGHVQB-UHFFFAOYAZ
Std. InChI: InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
Std. InChIKey: ANJPRQPHZGHVQB-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 10-20/21/22-42-36/37/38
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-36/37-37/39-26
S23:Do not breathe vapour.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 3080 6.1/PG 2
WGK Germany: 3
F: 10-19-21
HazardClass: 6.1(a)
PackingGroup: II
Specification
Hexyl isocyanate (CAS No.2525-62-4), its synonyms are Isocyanic acid hexyl ester ; Hexylisocyanate ; N-Hexyl isocyanate .