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线性分子式:
CH3(CH2)3C6H4CN
化学文摘社编号:
分子量:
159.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
SMILES string
CCCCc1ccc(cc1)C#N
InChI key
KGZNJCXNPLUEQS-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.515 (lit.)
bp
132-133 °C/12 mmHg (lit.)
density
0.924 g/mL at 25 °C (lit.)
General description
4-Butylbenzonitrile can be prepared from 4-(but-3-enyl)benzonitrile.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
143.6 °F - closed cup
flash_point_c
62 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Baird MS, et al.
Science of Synthesis: Houben-Weyl Methods of Molecular Transformations, 322-322 (2014)
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