1-Octyl isothiocyanate, 97%, Thermo Scientific Chemicals

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.

Specifications

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

• 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

Safety and Handling

Hazard Category	H227-H302+H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H331-H314-H318-H227-H302-H312 Toxic if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Combustible liquid. Harmful if swallowed. Harmful in contact with skin.
Precautionary Statement	P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber	224-625-5
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only