252336
2,6-二甲基苯基异氰酸酯
99%
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关于此项目
线性分子式:
(CH3)2C6H3NCO
化学文摘社编号:
分子量:
147.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
产品名称
2,6-二甲基苯基异氰酸酯, 99%
InChI
1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
SMILES string
Cc1cccc(C)c1N=C=O
InChI key
YQLRKXVEALTVCZ-UHFFFAOYSA-N
assay
99%
form
liquid
refractive index
n20/D 1.5356 (lit.)
bp
87-89 °C/12 mmHg (lit.)
density
1.057 g/mL at 25 °C (lit.)
functional group
isocyanate
storage temp.
2-8°C
Quality Level
Application
2,6-Dimethylphenyl isocyanate has been used in the preparation of:
- derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography
- tris( 2,6-dimethylphenylimido)methylrhenium (VII)
- 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
188.6 °F - closed cup
flash_point_c
87 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Jonathan Clayden et al.
Organic & biomolecular chemistry, 6(16), 2908-2913 (2008-08-09)
Except in the most hindered of cases, N,N'-diaryl N,N'-dimethyl ureas adopt a conformation with the two aryl rings disposed cis to one another. Variable temperature NMR studies reveal the rate at which the Ar-N bonds rotate as well as the
Selective substitution of an imido ligand in alkyl-and aryl-imido rhenium (VII) complexes; crystal structures of (2, 6-dimethylphenyl) ammonium trichlorobis (2, 6-dimethylphenyl-imido) methylrhenate (VII) and bis (2, 6-dimethylphenylimido) methylbis (neopentyl) rhenium (VII).
Cook MR, et al.
J. Chem. Soc., Dalton Trans., 797-804 (1991)
Derivatized cyclodextrins for normal-phase liquid chromatographic separation of enantiomers.
Armstrong DW, et al.
Analytical Chemistry, 62(15), 1610-1615 (1990)
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