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线性分子式:
CH3C6H4CN
化学文摘社编号:
分子量:
117.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-451-7
Beilstein/REAXYS Number:
1857417
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
InChI key
NWPNXBQSRGKSJB-UHFFFAOYSA-N
InChI
1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
SMILES string
Cc1ccccc1C#N
assay
≥97.0% (GC)
form
liquid
refractive index
n20/D 1.5279 (lit.), n20/D 1.528
bp
205 °C (lit.)
Quality Level
density
0.989 g/mL at 25 °C (lit.)
functional group
nitrile
signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 3 - Skin Irrit. 2
存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
179.6 °F - closed cup
flash_point_c
82 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
José Arturo Ruiz-Santoyo et al.
The Journal of chemical physics, 144(4), 044303-044303 (2016-02-02)
Rotationally resolved fluorescence excitation spectra of the origin bands in the S1 ← S0 transition of 2-tolunitrile (2TN) and 3-tolunitrile (3TN) have been recorded in the collision-free environment of a molecular beam. Analyses of these data provide the rotational constants
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