3D Mol Similar

BIS(PHOSPHINO)METHANE

: Iupac Name：phosphanylmethylphosphane; CAS No.: 5518-61-6; Molecular Weight：80.007; Modify Date.: 2023-03-02 10:51

Request For Quotation

1. Names and Identifiers

: 1.1 Name; BIS(PHOSPHINO)METHANE; 1.2 Synonyms; Acetamide, N-(4-bromo-2-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]- BIS(PHOSPHINO)METHANE N-(4-Bromo-2-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide Phosphine, methylenebis- (7CI,8CI,9CI)

1.3 CAS No.: 5518-61-6

1.4 CID: 4364299

1.5 Molecular Formula: CH6P2 (isomer)

1.6 Inchi: InChI=1S/CH6P2/c2-1-3/h1-3H2

1.7 InChIkey: UXGNAFUPNZUQQX-UHFFFAOYSA-N

1.8 Canonical Smiles: C(P)P

1.9 Isomers Smiles: C(P)P

2. Properties

2.1 Density: 1.58

2.1 Boiling point: 545.4°C at 760 mmHg

2.1 Refractive index: 1.66

2.1 Flash Point: 283.6°C

2.1 Precise Quality: 79.99450

2.1 PSA: 27.18000

2.1 logP: 0.69410

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. Synthesis Route

5518-61-6Total: 4 Synthesis Route

1499-29-2 15 Suppliers

5518-61-6 2 Suppliers

Literatures:
Hays,H.R.; Logan,T.J. Journal of Organic Chemistry, 1966 , vol. 31, p. 3391 - 3394
Yield: null

1660-95-3 60 Suppliers

593-54-4

5518-61-6 2 Suppliers

Literatures:
Issleib, Kurt; Krech, Frieder; Kuehne, Ulrich Zeitschrift fuer Chemie (Stuttgart, Germany), 1984 , vol. 24, # 7 p. 261 - 262
Yield: null

28240-68-8 13 Suppliers

5518-61-6 2 Suppliers

Literatures:
Hietkamp, Sibbele; Sommer, Herbert; Stelzer, Othmar Chemische Berichte, 1984 , vol. 117, # 12 p. 3400 - 3413
Yield: ~37%

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5. Precursor and Product

precursor:

1660-95-3

64007-66-5

1499-29-2

28240-68-8

6. Computational chemical data

Molecular Weight: 80.007g/mol
Molecular Formula: CH₆P₂
Compound Is Canonicalized: True
XLogP3-AA: -0.3
Exact Mass: 79.99447419
Monoisotopic Mass: 79.99447419
Complexity: 2.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 3
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAgAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==