<i>p</i>-Tolyl Isothiocyanate , >98.0%(GC) , 622-59-3

Synonym(s):
4-Methylphenyl isothiocyanate

CAS NO.：622-59-3

Empirical Formula: C8H7NS

Molecular Weight: 149.21

MDL number: MFCD00004813

EINECS: 210-745-5

PRODUCT Properties

• Melting point: 25-26 °C (lit.)
• Boiling point: 237 °C (lit.) 62 °C/0.3 mmHg (lit.)
• Density: 1.1442 (rough estimate)
• refractive index: n20/D 1.6345(lit.)
• Flash point: 107 °C
• storage temp.: Store below +30°C.
• form: powder to lump
• color: White to Light yellow
• Water Solubility: MAY DECOMPOSE
• Sensitive: Moisture Sensitive
• BRN: 386032
• InChI: InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
• InChIKey: ABQKHKWXTUVKGF-UHFFFAOYSA-N
• SMILES: C1(N=C=S)=CC=C(C)C=C1
• CAS DataBase Reference: 622-59-3(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-isothiocyanato-4-methyl-(622-59-3)

Description and Uses

p-Tolyl isothiocyanate has been used:

• in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione
• as capping agent to cap the N-terminal ends of polypeptides

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Danger
• Hazard statements: H315-H317-H319-H334-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xn,T
• Risk Statements: 36/37/38-42-42/43-23/24/25
• Safety Statements: 22-26-36-45-36/37/39
• RIDADR: UN 2811 6.1/PG 2
• WGK Germany: 3
• RTECS: NX9500000
• 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)