CAS
97070-48-9 Purity
96%
97070-48-9 Purity
96%
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Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-
CAS
97070-79-6
Catalog Number
ACM97070796
Category
Other Products
Molecular Weight
167.59
Molecular Formula
C8H6 Cl N O
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Specification
Synonyms
(R)-(+)-4-Chloromandelonitrile, AK-823/41252322, (R)-(+)-4-Chloro-mandelonitrile, 97070-79-6, (2R)-2-(4-chlorophenyl)-2-hydroxyethanenitrile, (4-chlorophenyl)(hydroxy)acetonitrile, PubChem17478, AC1Q59EI, AC1Q59EJ, 469742_ALDRICH, (R)-()-4-Chloromandelonitrile, SBB088117, AKOS015913547, ST51038440, I14-46056
IUPAC Name
(2R)-2-(4-chlorophenyl)-2-hydroxyacetonitrile
InChI Key
LSDSHEPNJSMUTI-QMMMGPOBSA-N
Boiling Point
324.2ºC at 760mmHg
Melting Point
70-74ºC(lit.)
Flash Point
149.8ºC
Density
1.331g/cm³
Exact Mass
167.01400
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
1
Safety Description
36
What is the molecular formula of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The molecular formula is C8H6ClNO.
What is the molecular weight of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The molecular weight is 167.59 g/mol.
What is the IUPAC name of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The IUPAC name is (2R)-2-(4-chlorophenyl)-2-hydroxyacetonitrile.
What is the InChI of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The InChI is InChI=1S/C8H6ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1.
What is the InChIKey of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The InChIKey is LSDSHEPNJSMUTI-QMMMGPOBSA-N.
What is the canonical SMILES of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The canonical SMILES is C1=CC(=CC=C1C(C#N)O)Cl.
What is the isomeric SMILES of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The isomeric SMILES is C1=CC(=CC=C1[C@H](C#N)O)Cl.
What is the CAS number of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The CAS number is 97070-79-6.
What is the European Community (EC) number of Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)-?
The European Community (EC) number is 624-601-8.
Is Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)- a covalently-bonded unit?
Yes, Benzeneacetonitrile,4-chloro-a-hydroxy-, (aR)- is a covalently-bonded unit.
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