4-Methylphenyl isothiocyanate
Synonym(s):4-Methylphenyl isothiocyanate
- CAS NO.:622-59-3
- Empirical Formula: C8H7NS
- Molecular Weight: 149.21
- MDL number: MFCD00004813
- EINECS: 210-745-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 4-Methylphenyl isothiocyanate?
Chemical properties
clear light yellow liquid after melting
The Uses of 4-Methylphenyl isothiocyanate
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.
The Uses of 4-Methylphenyl isothiocyanate
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
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.
Properties of 4-Methylphenyl isothiocyanate
Melting point: | 25-26 °C (lit.) |
Boiling point: | 237 °C (lit.)
62 °C/0.3 mmHg (lit.) |
Density | 1.1442 (rough estimate) |
refractive index | n |
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 |
CAS DataBase Reference | 622-59-3(CAS DataBase Reference) |
NIST Chemistry Reference | Benzene, 1-isothiocyanato-4-methyl-(622-59-3) |
Safety information for 4-Methylphenyl isothiocyanate
Signal word | Danger |
Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Methylphenyl isothiocyanate
InChIKey | ABQKHKWXTUVKGF-UHFFFAOYSA-N |
New Products
2,2-diethoxyethanethioamide Tubulysin I 2-(azetidin-3-ylidene)acetonitrile (hydrochloride) 2H-Pyran, 4-ethynyltetrahydro- 4,4-DIFLUOROCYCLOHEXANAMINE 1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE 3-Aminocyclobutanone hydrochloride 2,2-Difluoropropanol (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine 2-[2-[3(S)-3[2-(7-chloro-2-quinolinyl) ethenyl] phenyl-3- hydroxyl propyl] phenyl]-2-propanol 2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol ethanedioate Calcium Sodium Phosphosilicate IH Fuel shell 2-(1-(Mercaptomethyl) cyclopropyl) acetonitrile Lubiprostone Latanoprostene Bunod Magnesium Trisilicate Flame Retardant Zinc Borate (R)-(3-(3-fluoro-4- thiomorpholinophenyl)-2- oxooxazolidin-4-yl) methyl methanesulfonate methyl 3-fluoro-4- thiomorpholino phenylcarbamate 7-Methoxyquinoline-4-carboxylic acid 7-Methoxyquinoline-4-carbonitrile 1H-Imidazole-4-carbonitrile (R)-methyl 2-isocyano-3-(tritylthio)propanoateRelated products of tetrahydrofuran
Allyl isothiocyanate
Fluorescein isothiocyanate
TOLUALDEHYDES
Phenyl isothiocyanate
4-Methylphenyl isothiocyanate
4-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE
ERYTHROSIN B ISOTHIOCYANATE, ISOMER II
3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE
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