189278
对-甲基苯磺酰异氰酸酯
96%
别名:
4-甲苯磺酰异氰酸酯
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线性分子式:
CH3C6H4SO2NCO
化学文摘社编号:
分子量:
197.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-810-8
Beilstein/REAXYS Number:
391287
MDL number:
产品名称
对-甲基苯磺酰异氰酸酯, 96%
Quality Level
InChI key
VLJQDHDVZJXNQL-UHFFFAOYSA-N
InChI
1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
SMILES string
Cc1ccc(cc1)S(=O)(=O)N=C=O
vapor pressure
1 mmHg ( 100 °C)
assay
96%
form
liquid
refractive index
n20/D 1.534 (lit.)
bp
144 °C/10 mmHg (lit.)
275-278 °C (lit.)
density
1.291 g/mL at 25 °C (lit.)
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General description
对甲苯磺酰基异氰酸酯与烯丙基锡烷和烯丙基氯发生钯催化的双烯丙基化反应。
Application
对甲苯磺酰基异氰酸酯用作：
- LC-MS/MS法测定人血浆中3-α-羟基替勃龙的衍生化试剂
- HPLC法同时定量分析药物中二甘醇和丙二醇的衍生化试剂
- 制备乙酰化顺-1,2-二醇、恶唑烷-2-酮、2,3-二氨基酸和N-甲苯磺酰基碳酰胺的试剂
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
294.8 °F - closed cup
flash_point_c
146 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Tetrahedron Letters, 34, 1867-1867 (1993)
Tetrahedron Letters, 34, 951-951 (1993)
N Solin et al.
Organic letters, 3(6), 909-912 (2001-03-27)
A tandem bis-allylation of p-toluenesulfonyl isocyanate can be achieved by palladium-catalyzed three-component coupling reaction with allylstannanes and allyl chlorides. A high level of regioselectivity can be obtained by the appropriate choice of the allylic substituents. The reaction mechanism and the
Inga Mädge et al.
Food chemistry, 187, 491-498 (2015-05-16)
A general contamination of tea with pyrrolizidine alkaloids (PA) has just become known. Here, we report the application and modification of a new HPLC-ESI-MS/MS sum parameter method to quantitate PA content of herbal teas intended for infants, pregnant and lactating
Tetrahedron, 47, 2263-2263 (1991)
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