3D Mol Similar

1,2-BIS(PHOSPHINO)ETHANE

: Iupac Name：2-phosphanylethylphosphane; CAS No.: 5518-62-7; Molecular Weight：94.034; Modify Date.: 2022-11-29 05:34; Introduction:
1,2-BIS(PHOSPHINO)ETHANE, with the chemical formula C8H18P2 and CAS registry number 5518-62-7, is a compound known for its applications in coordination chemistry and catalysis. This colorless liquid, also referred to as dppe, is characterized by its two phosphine functional groups. It is commonly used as a ligand in transition metal complexes, offering a bidentate coordination site for metal ions. 1,2-BIS(PHOSPHINO)ETHANE has been extensively studied for its ability to stabilize metal centers and influence their reactivity. Its unique structure and properties make it a valuable tool in various chemical processes, including homogeneous catalysis and organometallic chemistry. The compound's versatility and stability have contributed to its widespread use in academic research and industrial applications.
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1. Names and Identifiers

: 1.1 Name; 1,2-BIS(PHOSPHINO)ETHANE; 1.2 Synonyms; 1,2-Bis(phosphanyl)ethane 1,2-BIS(PHOSPHINO)ETHANE BIS-PHOSPHINO ETHANE

1.3 CAS No.: 5518-62-7

1.4 CID: 4361793

1.5 Molecular Formula: C2H8P2 (isomer)

1.6 Inchi: InChI=1S/C2H8P2/c3-1-2-4/h1-4H2

1.7 InChIkey: FWFZRPMNAAFGBA-UHFFFAOYSA-N

1.8 Canonical Smiles: C(CP)P

1.9 Isomers Smiles: C(CP)P

2. Properties

2.1 Melting point: -62.4°C

2.1 Boiling point: 109-110°C

2.1 Flash Point: 109-110°C

2.1 Precise Quality: 94.01010

2.1 PSA: 27.18000

2.1 logP: 0.73660

2.1 Appearance: Colorless Liquid

2.2 Storage: Air Sensitive. Ambient temperatures.

2.3 Color/Form: Colorless

2.4 Water Solubility: It is soluble in organic solvents. It is insoluble in water.

3. Safety and Handling

3.1 Risk Statements: 17-36/37/38

3.1 Safety Statements: Ignites spontaneously in air. When heated to decomposition it emits toxic fumes of POx. See also PHOSPHINE.

3.1 Packing Group: I

3.1 Hazard Class: 4.2

3.1 Hazard Declaration: H250

3.1 RIDADR: 2845

3.1 Caution Statement: P210, P222, P260, P264, P280, P301+P330+P331, P302+P334, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P405, P422, P501

3.1 Safety: Ignites spontaneously in air. When heated to decomposition it emits toxic fumes of PO_x. See also PHOSPHINE.
Risk Statements about 1,2-Diphosphinoethane (CAS No.5518-62-7):
R17:Spontaneously flammable in air.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements about 1,2-Diphosphinoethane (CAS No.5518-62-7):
S17:Keep away from combustible material.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

3.2 Sensitive: Air Sensitive

3.3 Specification: Safety Statements:17-36/37/39-45
17:Keep away from combustible material
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Pyrophoric liquids, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H250 Catches fire spontaneously if exposed to air H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P222 Do not allow contact with air. P231+P232 Handle and store contents under inert gas/.... Protect from moisture. P233 Keep container tightly closed. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling.
Response	P302+P334 IF ON SKIN: Immerse in cool water [or wrap in wet bandages]. P370+P378 In case of fire: Use ... to extinguish. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Synthesis Route

5518-62-7Total: 1 Synthesis Route

995-32-4 22 Suppliers

5518-62-7 23 Suppliers

Literatures:
Journal of Medicinal Chemistry, , vol. 51, # 4 p. 798 - 808
Yield: null

7. Precursor and Product

precursor:

995-32-4

product :

136779-26-5

136779-27-6

136705-63-0

93518-09-3

28240-69-9

8. Other Information

8.0 Usage: It is used in chemical research organic Intermediates.

9. Computational chemical data

Molecular Weight: 94.034g/mol
Molecular Formula: C₂H₈P₂
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 94.01012425
Monoisotopic Mass: 94.01012425
Complexity: 6
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 4
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: AAADccBAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAgAAAAQAACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Recommended Suppliers

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Dayang Chem (Hangzhou) Co., Ltd. Diamond member

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Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

1,2-bis-(Phosphino)ethane (BPE)

Purity:99%Packing: 200kg/bag FOB
Price: 2 USD/metric ton
Time: 2024/06/17

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1,2-Bis(phosphino)ethane