CAS
33494-80-3 Purity
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33494-80-3 Purity
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Chlorodi(o-tolyl)phosphine
CAS
36042-94-1
Catalog Number
ACM36042941-1
Category
Organic Phosphine Compounds
Molecular Weight
248.69
Molecular Formula
C14H14PCl
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Specification
Synonyms
Di-o-tolylchlorophosphine; Bis(o-tolyl)chlorophosphine
IUPAC Name
chloro-bis(2-methylphenyl)phosphane
Canonical SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl;
InChI
KAAGXBGJRWFWPT-UHFFFAOYSA-N
InChI Key
InChI=1S/C14H14ClP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
Boiling Point
174-178 °C at 3 mmHg
Melting Point
57 °C
Appearance
Solid
Storage
2-8°C
Complexity
197
Covalently-Bonded Unit Count
1
Exact Mass
248.052g/mol
Heavy Atom Count
16
Isomeric SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl
Monoisotopic Mass
248.052g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
0A^2
What is the CAS number for Chlorodi(o-tolyl)phosphine?
The CAS number for Chlorodi(o-tolyl)phosphine is 36042-94-1.
How many heavy atoms are present in a molecule of Chlorodi(o-tolyl)phosphine?
There are 16 heavy atoms present in a molecule of Chlorodi(o-tolyl)phosphine.
What is the molecular formula of Chlorodi(o-tolyl)phosphine?
The molecular formula of Chlorodi(o-tolyl)phosphine is C14H14ClP.
What is the molecular weight of Chlorodi(o-tolyl)phosphine?
The molecular weight of Chlorodi(o-tolyl)phosphine is 248.69g/mol.
What is the Canonical SMILES notation for Chlorodi(o-tolyl)phosphine?
The Canonical SMILES notation for Chlorodi(o-tolyl)phosphine is CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl.
How many rotatable bonds are present in Chlorodi(o-tolyl)phosphine?
There are 2 rotatable bonds present in Chlorodi(o-tolyl)phosphine.
What is the InChIKey for Chlorodi(o-tolyl)phosphine?
The InChIKey for Chlorodi(o-tolyl)phosphine is KAAGXBGJRWFWPT-UHFFFAOYSA-N.
What is the depositor-supplied synonym for Chlorodi(o-tolyl)phosphine?
The depositor-supplied synonym for Chlorodi(o-tolyl)phosphine is Di(o-tolyl)chlorophosphine.
What is the XLogP3 value for Chlorodi(o-tolyl)phosphine?
The XLogP3 value for Chlorodi(o-tolyl)phosphine is 4.6.
What is the exact mass of Chlorodi(o-tolyl)phosphine?
The exact mass of Chlorodi(o-tolyl)phosphine is 248.0521651.
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