253715
对甲苯异硫氰酸酯
97%
别名:
异硫氰酸对甲苯酯
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关于此项目
线性分子式:
CH3C6H4NCS
化学文摘社编号:
分子量:
149.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-745-5
Beilstein/REAXYS Number:
386032
MDL number:
Assay:
97%
Form:
solid
InChI key
ABQKHKWXTUVKGF-UHFFFAOYSA-N
InChI
1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
SMILES string
Cc1ccc(cc1)N=C=S
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
Quality Level
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
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
存储类别
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
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
Polypeptide end-capping using functionalized isocyanates: preparation of pentablock copolymers.
Brzezinska KR, et al.
Macromolecules, 35(8), 2970-2976 (2002)
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
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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