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253715

p-Tolyl isothiocyanate

Name: <I>p</I>-Tolyl isothiocyanate
Brand: ALDRICH

97%

Synonym(s):

4-Methylphenyl isothiocyanate

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About This Item

Linear Formula:

CH₃C₆H₄NCS

CAS Number:

622-59-3

Molecular Weight:

149.21

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855322

EC Number:

210-745-5

Beilstein/REAXYS Number:

386032

MDL number:

MFCD00004813

Assay:

97%

Form:

solid

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Properties

Quality Level

200

assay

97%

form

solid

refractive index

n20/D 1.6345 (lit.)

bp

237 °C (lit.), 62 °C/0.3 mmHg (lit.)

mp

25-26 °C (lit.)

functional group

isothiocyanate

SMILES string

Cc1ccc(cc1)N=C=S

InChI

1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

InChI key

ABQKHKWXTUVKGF-UHFFFAOYSA-N

Description

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.

Application

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

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H315,H317,H319,H334,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Synthesis of N-(purin-8-yl)arylamines.

D H Swenson et al.

Chemical research in toxicology, 6(4), 480-485 (1993-07-01)

Methods for direct synthesis of N-(purin-8-yl)arylamines were investigated. N-(Purin-8-yl)arylamines are adducts from reaction of electrophilic metabolites of arylamines with DNA and have not been readily available by direct synthesis. Ability to generate significant quantities of this class of DNA adduct

Colorimetric "naked eye" sensing of anions in aqueous solution.

Thorfinnur Gunnlaugsson et al.

The Journal of organic chemistry, 70(26), 10875-10878 (2005-12-17)

[structure: see text] The synthesis and UV-vis and NMR spectroscopic studies of thiourea-based colorimetric sensors for anions are presented. These sensors can recognize anions through hydrogen binding even in competitive pH-buffered aqueous solutions, giving rise to large color changes that

Polypeptide end-capping using functionalized isocyanates: preparation of pentablock copolymers.

Brzezinska KR, et al.

Macromolecules, 35(8), 2970-2976 (2002)

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Global Trade Item Number

SKU	GTIN
253715-5G	04061825982298