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1-Octyl isothiocyanate, 97%
CAS: 4430-45-9 | C9H17NS | 171.30 g/mol
$111.68 - $350.77
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1450106
|
Thermo Scientific Chemicals
A1450106 |
5 g |
Each for $111.68
|
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AAA1450114
|
Thermo Scientific Chemicals
A1450114 |
25 g |
Each for $350.77
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Description
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.
Applications1-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.
Chemical Identifiers
| 4430-45-9 | |
| 171.30 | |
| YEZHGQZHWKJPCM-UHFFFAOYSA-N | |
| 78161 | |
| CCCCCCCCN=C=S |
| C9H17NS | |
| MFCD00041139 | |
| octyl isothiocyanate, n-octyl isothiocyanate, octylisothiocyanate, 1-octyl isothiocyanate, octanisothiocyanate, 1-isothiocyanatooctan, octane, 1-isothiocyanato, isothiocyanic acid, octyl ester, n-octylisothiocyanate, acmc-1ajcy | |
| 1-isothiocyanatooctane |
Specifications
| 4430-45-9 | |
| 124°C to 126°C (7 mmHg) | |
| Pungent | |
| 1.49 | |
| 5 g | |
| 1760783 | |
| octyl isothiocyanate, n-octyl isothiocyanate, octylisothiocyanate, 1-octyl isothiocyanate, octanisothiocyanate, 1-isothiocyanatooctan, octane, 1-isothiocyanato, isothiocyanic acid, octyl ester, n-octylisothiocyanate, acmc-1ajcy | |
| YEZHGQZHWKJPCM-UHFFFAOYSA-N | |
| 1-isothiocyanatooctane | |
| 78161 | |
| 97% |
| 0.88 | |
| 69°C (156°F) | |
| C9H17NS | |
| MFCD00041139 | |
| UN2922 | |
| Moisture sensitive | |
| It hydrolyzes in water. | |
| CCCCCCCCN=C=S | |
| 171.30 | |
| 171.31 | |
| 1-Octyl isothiocyanate |
Safety and Handling
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.
P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c
H227-H302+H312+H332-H315-H319-H335
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
RUO – Research Use Only