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About This Item
Empirical Formula (Hill Notation):
C9H13N3
CAS Number:
Molecular Weight:
163.22
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
245-975-5
MDL number:
Assay:
85% (sum of isomers)
Quality Level
assay
85% (sum of isomers)
refractive index
n20/D 1.5070 (lit.)
bp
245-246 °C (lit.)
density
0.950 g/mL at 25 °C (lit.)
functional group
nitrile
SMILES string
CCc1nc(C)cn1CCC#N
InChI
1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
InChI key
UIDDPPKZYZTEGS-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
>230.0 °F - closed cup
flash_point_c
> 110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 643793-25G | 04061838120441 |

