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ChemicalBook--->CAS DataBase List--->622-59-3

622-59-3

622-59-3 Structure

622-59-3 Structure
IdentificationMore
[Name]

4-Methylphenyl isothiocyanate
[CAS]

622-59-3
[Synonyms]

4-METHYLPHENYL ISOTHIOCYANATE
4-TOLYL ISOTHIOCYANATE
AKOS BBS-00004440
ISOTHIOCYANIC ACID 4-METHYLPHENYL ESTER
ISOTHIOCYANIC ACID P-TOLYL ESTER
P-TOLYL ISOTHIOCYANATE
TIMTEC-BB SBB008290
isothiocyanicacid,4-tolylester
p-Tolylisothiocyanate,97%
4-METHYLPHENYL ISOTHIOCYANATE 99+%
[EINECS(EC#)]

210-745-5
[Molecular Formula]

C8H7NS
[MDL Number]

MFCD00004813
[Molecular Weight]

149.21
[MOL File]

622-59-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid after melting
[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.)
[Fp ]

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
[InChIKey]

ABQKHKWXTUVKGF-UHFFFAOYSA-N
[CAS DataBase Reference]

622-59-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-isothiocyanato-4-methyl-(622-59-3)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
R42/43:May cause sensitization by inhalation and skin contact .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

NX9500000
[F ]

10-21
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid after melting
[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
[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. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.
[General Description]

p-Tolyl isothiocyanate reacts with 6-hydroxy-2,4,5-triaminopyrimidine or with 4,5,6-triaminopyrimidine in DMF and triethylamine to yield 2,4-diamino-5-(p-tolylthioureido)aminopyrimidin-6-one and 4,6-diamino-5-(tolylthioureido)aminopyrimidine, respectively.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylphenyl isothiocyanate(622-59-3)MS
4-Methylphenyl isothiocyanate(622-59-3)1HNMR
4-Methylphenyl isothiocyanate(622-59-3)13CNMR
4-Methylphenyl isothiocyanate(622-59-3)IR1
4-Methylphenyl isothiocyanate(622-59-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

p-Tolyl isothiocyanate, 99%(622-59-3)
[Alfa Aesar]

p-Tolyl isothiocyanate, 97%(622-59-3)
[Sigma Aldrich]

622-59-3(sigmaaldrich)
[TCI AMERICA]

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