Hexyl isothiocyanate , 97% , 4404-45-9

Synonym(s):
n-Hexyl mustard oil;1-Isothiocyanatohexane

CAS NO.：4404-45-9

Empirical Formula: C7H13NS

Molecular Weight: 143.25

MDL number: MFCD00014445

EINECS: 224-549-2

PRODUCT Properties

• Melting point: 83 °C
• Boiling point: 136-138 °C/96 mmHg (lit.)
• Density: 0.929 g/mL at 25 °C (lit.)
• FEMA: 4422 | HEXYL ISOTHIOCYANATE
• refractive index: n20/D 1.491(lit.)
• Flash point: 195 °F
• storage temp.: RT, stored under nitrogen
• Appearance: Colorless to light yellow Liquid
• Odor: sharp green
• Odor Type: green
• Sensitive: Moisture Sensitive
• JECFA Number: 1895
• BRN: 1751837
• InChI: InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
• InChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-N
• SMILES: C(N=C=S)CCCCC
• LogP: 3.60
• CAS DataBase Reference: 4404-45-9(CAS DataBase Reference)

Description and Uses

Hexyl isothiocyanate may be used as a starting reagent in the synthesis of hexyl isocyanate.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301+H311+H331-H315-H319-H335
• Precautionary statements: P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
• Hazard Codes: T
• Risk Statements: 23/24/25-36/37/38-34-20/21/22
• Safety Statements: 23-26-36/37/39-45
• RIDADR: 2810
• WGK Germany: 3
• F: 10-21
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29309090
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)