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1-Octyl isothiocyanate, 97%

Product Code. 11421848
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Product Code. 11421848 Supplier Thermo Scientific Alfa Aesar Supplier No. A14501.06
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Description

CAS: 4430-45-9 | C9H17NS | 171.30 g/mol

1-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry.

Solubility
It hydrolyzes in water.

Notes
It is moisture sensitive. Incompatible with oxidizing agents, alcohols and amines.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 4430-45-9
Molecular Formula C9H17NS
Molecular Weight (g/mol) 171.30
MDL Number MFCD00041139
InChI Key YEZHGQZHWKJPCM-UHFFFAOYSA-N
Synonym octyl isothiocyanate, n-octyl isothiocyanate, octylisothiocyanate, 1-octyl isothiocyanate, octanisothiocyanate, 1-isothiocyanatooctan, octane, 1-isothiocyanato, isothiocyanic acid, octyl ester, n-octylisothiocyanate, acmc-1ajcy
PubChem CID 78161
IUPAC Name 1-isothiocyanatooctane
SMILES CCCCCCCCN=C=S

Specifications

Density 0.88
Boiling Point 124°C to 126°C (7 mmHg)
Flash Point 69°C (156°F)
Odor Pungent
Refractive Index 1.49
Quantity 5 g
UN Number UN2922
Beilstein 1760783
Sensitivity Moisture sensitive
Solubility Information It hydrolyzes in water.
Formula Weight 171.31
Percent Purity 97%
Chemical Name or Material 1-Octyl isothiocyanate
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Safety and Handling

compliance-icons
Product Identifier
  • 1-Octyl isothiocyanate
 Signal Word
  • Warning
 Hazard Category
  • Acute toxicity Category 4
  • Serious eye damage/eye irritation Category 2
  • Skin corrosion/irritation Category 2
  • Specific target organ toxicity Category 3
 Hazard Statement
  • H302-Harmful if swallowed.
  • H312-Harmful in contact with skin.
  • H315-Causes skin irritation.
  • H319-Causes serious eye irritation.
  • H332-Harmful if inhaled.
  • H335-May cause respiratory irritation.
 Precautionary Statement
  • P280-Wear protective gloves/protective clothing/eye protection/face protection.
  • P301+P330+P331-IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
  • P302+P352-IF ON SKIN: Wash with plenty of water/soap.
  • P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
  • P312-Call a POISON CENTER/doctor/if you feel unwell.
  • P332+P313-If skin irritation occurs: Get medical advice/attention.
  • P337+P313-If eye irritation persists: Get medical advice/attention.
 Supplemental information
  • MIXTURE LIST-Contains : Octyl isothiocyanate
SDS

RUO – Research Use Only

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