Merck
CN

253715

Sigma-Aldrich

对甲苯异硫氰酸酯

97%

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别名:
异硫氰酸对甲苯酯
线性分子式:
CH3C6H4NCS
CAS号:
分子量:
149.21
Beilstein:
386032
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

97%

形式

solid

折射率

n20/D 1.6345 (lit.)

bp

237 °C (lit.)
62 °C/0.3 mmHg (lit.)

mp

25-26 °C (lit.)

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

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275956143634343609
p-Tolyl isothiocyanate 97%

Sigma-Aldrich

253715

对甲苯异硫氰酸酯

Methyl p-tolyl sulfide 99%

Sigma-Aldrich

275956

甲基对甲苯硫醚

p-Tolyl isocyanate 99%

Sigma-Aldrich

143634

对甲苯异氰酸酯

form

solid

form

liquid

form

liquid

form

-

refractive index

n20/D 1.6345 (lit.)

refractive index

n20/D 1.573 (lit.)

refractive index

n20/D 1.531 (lit.)

refractive index

-

bp

237 °C (lit.), 62 °C/0.3 mmHg (lit.)

bp

52-54 °C/1 mmHg (lit.)

bp

70-72 °C/10 mmHg (lit.)

bp

-

mp

25-26 °C (lit.)

mp

-

mp

-

mp

73-75 °C (lit.)

一般描述

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.

应用

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

象形图

Exclamation markHealth hazard

警示用语:

Danger

危险分类

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

靶器官

Respiratory system

储存分类代码

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

WGK

WGK 3

闪点(°F)

224.6 °F - closed cup

闪点(°C)

107 °C - closed cup

个人防护装备

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

法规信息

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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
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)
Karlee L Bamford et al.
Dalton transactions (Cambridge, England : 2003), 49(48), 17571-17577 (2020-11-25)
The synthesis and isolation of the first stable C-B-N-substituted borinium [MesBNiPr2][B(C6F5)4] (2) is described. Compound 2 was shown to react with isothiocyanate and carbodiimides, effecting B-C insertion to afford nitrilium (4) and borenium amidinate salts, respectively. The borinium cation [MesBNiPr2]+
Kristina Søborg Pedersen et al.
Molecules (Basel, Switzerland), 25(5) (2020-03-07)
Despite promising anti-cancer properties in vitro, all titanium-based pharmaceuticals have failed in vivo. Likewise, no target-specific positron emission tomography (PET) tracer based on the radionuclide 45Ti has been developed, notwithstanding its excellent PET imaging properties. In this contribution, we present

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