p-Tolyl isothiocyanate, 97%

Catalog No.	Quantity
AAA1149922	100 g
AAA1149906	5 g
AAA1149914	25 g

Catalog No. AAA1149922 Supplier Thermo Scientific Chemicals Supplier No. A1149922

Description

CAS: 622-59-3 | C8H7NS | 149.211 g/mol

p-Tolyl isothiocyanate has been used in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.

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
p-Tolyl isothiocyanate has been used in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.

Solubility
Decompose in water.

Notes
Moisture Sensitive. Protect from humidity and water. Store under dry inert gas away from oxidizing agents and moisture.

Specifications

Chemical Identifiers

• CAS: 622-59-3
• Molecular Formula: C8H7NS
• Molecular Weight (g/mol): 149.211
• MDL Number: MFCD00004813
• InChI Key: ABQKHKWXTUVKGF-UHFFFAOYSA-N
• Synonym: p-tolyl isothiocyanate, 4-methylphenyl isothiocyanate, 4-methylphenylisothiocyanate, p-tolylisothiocyanate, 4-tolylisothiocyanate, benzene, 1-isothiocyanato-4-methyl, 4-tolyl isothiocyanate, isothiocyanic acid, p-tolyl ester, 1-isothiocyanato-4-methyl-benzene, isothiocyanic acid, 4-tolyl ester
• PubChem CID: 12149
• IUPAC Name: 1-isothiocyanato-4-methylbenzene
• SMILES: CC1=CC=C(C=C1)N=C=S

• Melting Point: 23°C to 26°C
• Boiling Point: 236°C to 238°C
• Flash Point: 107°C (224°F)
• Odor: Pungent
• Refractive Index: 1.6345
• Quantity: 100 g
• UN Number: UN2923
• Beilstein: 386032
• Sensitivity: Moisture sensitive
• Solubility Information: Decompose in water.
• Formula Weight: 149.22
• Percent Purity: 97%
• Chemical Name or Material: p-Tolyl isothiocyanate

Safety and Handling

Hazard Category	H301+H311+H331-H315-H317-H319-H334-H335
Hazard Statement	GHS H Statement H314-H318-H302-H312-H332 Causes severe skin burns and eye damage. Causes serious eye damage. Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
Precautionary Statement	P261-P264b-P270-P271-P272-P280-P285-P301+P310-P302+P352-P304+P340-P305+P351+P338-P311-P312-P330-P333+P313-P361-P363-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
EINECSNumber	210-745-5
RTECSNumber	NX9500000
TSCA	No
Recommended Storage	Ambient temperatures; Store under Nitrogen

SDS

RUO – Research Use Only