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

• Catalog Number: ACM121954505
• Product Name: 1,2-Bis(di-tert-butylphosphinomethyl)benzene
• CAS: 121954-50-5
• Category: Organic Phosphine Compounds
• 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
• Molecular Weight: 394.564g/mol
• Molecular Formula: C24H44P2
• 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

Custom Q&A

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.