CAS
95873-76-0 Purity
96%
95873-76-0 Purity
96%
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Benzonitrile,2-ethyl-6-methyl-
CAS
95881-22-4
Catalog Number
ACM95881224
Category
Other Products
Molecular Weight
145.2
Molecular Formula
C10H11N
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Specification
Synonyms
BUTTPARK 88\11-39;2-ETHYL-6-METHYLBENZONITRILE;Benzonitrile, 2-ethyl-6-methyl- (9CI)
IUPAC Name
2-ethyl-6-methylbenzonitrile
Canonical SMILES
CCC1=CC=CC(=C1C#N)C
InChI Key
CTDSMBHUQCGSOQ-UHFFFAOYSA-N
Boiling Point
231.2ºC at 760mmHg
Flash Point
93.5ºC
Density
0.97g/cm³
Exact Mass
145.08900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
36
What is the molecular formula of Benzonitrile, 2-ethyl-6-methyl?
The molecular formula of Benzonitrile, 2-ethyl-6-methyl is C10H11N.
What is the molecular weight of Benzonitrile, 2-ethyl-6-methyl?
The molecular weight of Benzonitrile, 2-ethyl-6-methyl is 145.20 g/mol.
What is the IUPAC name of Benzonitrile, 2-ethyl-6-methyl?
The IUPAC name of Benzonitrile, 2-ethyl-6-methyl is 2-ethyl-6-methylbenzonitrile.
What is the InChI of Benzonitrile, 2-ethyl-6-methyl?
The InChI of Benzonitrile, 2-ethyl-6-methyl is InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h4-6H,3H2,1-2H3.
What is the InChIKey of Benzonitrile, 2-ethyl-6-methyl?
The InChIKey of Benzonitrile, 2-ethyl-6-methyl is CTDSMBHUQCGSOQ-UHFFFAOYSA-N.
What is the canonical SMILES of Benzonitrile, 2-ethyl-6-methyl?
The canonical SMILES of Benzonitrile, 2-ethyl-6-methyl is CCC1=CC=CC(=C1C#N)C.
What is the CAS number of Benzonitrile, 2-ethyl-6-methyl?
The CAS number of Benzonitrile, 2-ethyl-6-methyl is 95881-22-4.
What is the XLogP3-AA value of Benzonitrile, 2-ethyl-6-methyl?
The XLogP3-AA value of Benzonitrile, 2-ethyl-6-methyl is 2.8.
How many hydrogen bond donor counts does Benzonitrile, 2-ethyl-6-methyl have?
Benzonitrile, 2-ethyl-6-methyl has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Benzonitrile, 2-ethyl-6-methyl have?
Benzonitrile, 2-ethyl-6-methyl has 1 hydrogen bond acceptor count.
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958818-89-8 Purity
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958818-89-8 Purity
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