Acetone cyanohydrin, also known as 2 – hydroxyisobutyronitrile, cyanopropanol, 2 – methyl – 2 – hydroxypropionitrile, etc., plays a significant role in the industrial field. It can be used to produce methyl methacrylate, azobisisobutyronitrile, and serves as an important raw material for synthetic pesticides. However, this substance is highly toxic, posing great risks to the respiratory and digestive systems, and also causes moderate toxicity when absorbed through the skin.
Miscible with water, alcohols, ethers, and many other organic solvents. Insoluble in petroleum ether and carbon disulfide
Density
0.932 g/mL at 25 °C(lit.)
(II) Computational Characteristics
Item
Value
Exact Molecular Weight
85.05280
Number of Hydrogen Bond Donors
1
Number of Hydrogen Bond Acceptors
2
Number of Rotatable Chemical Bonds
0
Isotopic Mass
85.052763847g/mol
Number of Heavy Atoms
6
Complexity
87
Number of Isotope Atoms
0
Number of Determined Atomic Stereocenters
0
Number of Undetermined Atomic Stereocenters
0
Number of Determined Bond Stereocenters
0
Number of Undetermined Bond Stereocenters
0
Number of Covalent Bond Units
1
Reference Value of Hydrophobic Parameter Calculation (XlogP)
-0.1
Number of Tautomers
None
Surface Charge
0
Topological Molecular Polar Surface Area
44Ų
III. Safety Information
(I) Risks and Warnings
Item
Details
Symbol
GHS06 GHS09
RTECS Number
OD9275000
WGK Germany
3
Safety Terms
6.1(a)
Safety Statements
S27 – S45 – S60 – S61 – S7/9
Packaging Grade
I
Packaging Category
I
Risk Terms
R26/27/28; R50
Hazard Class
6.1(a)
Hazardous Goods Symbols
T+ T+ N N
Dangerous Goods Transport Number
UN 1541 6.1/PG 1
Hazard Statements
H300 – H310 – H330 – H410
Precautionary Statements
P260 – P264 – P273 – P280 – P284 – P301 + P310
PackingGroup
I
Risk Class Codes
26/27/28 – 50/53
Signal Word
Danger
Toxicity
LD50 orally in rats: 0.17 g/kg (Smyth)
HazardClass
6.1(a)
(II) International Standard – Related Data
Item
Details
EINECS
200 – 909 – 4
IV. Customs Data
(I) Customs Code
2926909090
(II) Overview
According to Chinese customs regulations, for this commodity (2926909090 other nitrile – function compounds), the value – added tax rate is 17.0%, the tax rebate rate is 9.0%, and there are no special supervision conditions. The most – favored – nation tariff is 6.5%, and the general tariff is 30.0%.
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