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
Quality Segment
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
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