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Structure

1,2-Bis(di-tert-butylphosphinomethyl)benzene

CAS
121954-50-5
Catalog Number
ACM121954505
Category
Organic Phosphine Compounds
Molecular Weight
394.564g/mol
Molecular Formula
C24H44P2;

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Specification

Synonyms
4156AA; DTXSID90405525; o-Xylylenebis(di-tert-butylphosphine); AC1NFGH4; Phosphine, [1,2-phenylenebis(methylene)]bis[bis(1,1-dimethylethyl)-; 121954-50-5; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; RT-005804; AX8053058; SC11544;
IUPAC Name
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane;
Canonical SMILES
CC(C)(C)P(CC1=CC=CC=C1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C;
InChI
InChI=1S/C24H44P2/c1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3;
InChI Key
SFCNPIUDAIFHRD-UHFFFAOYSA-N;
Complexity
355
Covalently-Bonded Unit Count
1
Exact Mass
394.292g/mol
Heavy Atom Count
26
Monoisotopic Mass
394.292g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
What is the molecular formula of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The molecular formula is C24H44P2.

What is the molecular weight of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The molecular weight is 394.6 g/mol.

What is the IUPAC name of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The IUPAC name is ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane.

What is the InChI code of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The InChI code is InChI=1S/C24H44P2/c1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3.

What is the InChIKey of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The InChIKey is SFCNPIUDAIFHRD-UHFFFAOYSA-N.

What is the canonical SMILES of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The canonical SMILES is CC(C)(C)P(CC1=CC=CC=C1CP(C(C)(C)C)C(C)(C)C.

What is the CAS number of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The CAS number is 121954-50-5.

What is the EC (European Community) number of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The EC number is 641-386-6.

What is the DSSTox Substance ID of 1,2-Bis(di-tert-butylphosphinomethyl)benzene?

The DSSTox Substance ID is DTXSID90405525.

Is 1,2-Bis(di-tert-butylphosphinomethyl)benzene a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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