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About This Item
Linear Formula:
C6H5CH2CN
CAS Number:
Molecular Weight:
117.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-410-5
Beilstein/REAXYS Number:
385941
MDL number:
Assay:
98%
Form:
liquid
vapor pressure
0.1 mmHg ( 20 °C)
Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.523 (lit.)
bp
233-234 °C (lit.)
mp
−24 °C (lit.)
density
1.015 g/mL at 25 °C (lit.)
SMILES string
N#CCc1ccccc1
InChI
1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI key
SUSQOBVLVYHIEX-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 2
flash_point_f
215.6 °F - closed cup
flash_point_c
102 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
易制毒化学品(3类)
非剧毒-急性毒性1
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Dunming Zhu et al.
Journal of biotechnology, 133(3), 327-333 (2007-12-07)
A nitrilase gene blr3397 from Bradyrhizobium japonicum USDA110 was cloned and over-expressed in Escherichia coli, and the encoded protein was purified to give a nitrilase with a single band of about 34.5kD on SDS-PAGE. The molecular weight of the holoenzyme
Hui-Lei Hou et al.
The Journal of organic chemistry, 77(5), 2553-2558 (2012-02-10)
Aerobic oxidations of dianionic C(60) were examined in PhCN and PhCH(2)CN, where dioxygen was activated to O(2)(•-) via the single-electron transfer from C(60)(2-) and underwent oxygenation and dehydrogenation reactions, respectively. Addition of PhCH(2)Br led to further benzylation for the oxygenated
Jacques Corset et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(5), 1340-1346 (2007-05-01)
The carbanionic species possibly formed during the first alkylation step of phenylacetonitrile lithiated anion by CH(3)I and PhCH(2)Cl in THF-hexane solution and their complexes with the lithium salt formed have been observed by infrared spectrometry and characterized by density functional
Global Trade Item Number
| SKU | GTIN |
|---|---|
| B19401-250G | 04061837508127 |
| B19401-1KG | 04061837508110 |
