Tetraethyl butane-1,4-diylbis(phosphonate)

Modify Date: 2024-01-27 08:46:58

Tetraethyl butane-1,4-diylbis(phosphonate) Structure
Tetraethyl butane-1,4-diylbis(phosphonate) structure
Common Name Tetraethyl butane-1,4-diylbis(phosphonate)
CAS Number 7203-67-0 Molecular Weight 330.29500
Density 1.099g/cm3 Boiling Point 415.8ºC at 760 mmHg
Molecular Formula C12H28O6P2 Melting Point N/A
MSDS N/A Flash Point 218.7ºC

 Use of Tetraethyl butane-1,4-diylbis(phosphonate)


Tetraethyl butane-1,4-diylbis(phosphonate) is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].

 Names

Name tetraethyl(1,4-butylene)bisphosphonate
Synonym More Synonyms

  Biological Activity

Description Tetraethyl butane-1,4-diylbis(phosphonate) is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related Catalog
Target

Alkyl-Chain

In Vitro PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1].
References

[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562

 Chemical & Physical Properties

Density 1.099g/cm3
Boiling Point 415.8ºC at 760 mmHg
Molecular Formula C12H28O6P2
Molecular Weight 330.29500
Flash Point 218.7ºC
Exact Mass 330.13600
PSA 90.68000
LogP 4.29880
Index of Refraction 1.4465-1.4485

 MSDS

Name: Tetraethylbutylene-1 4-diphosphonate 98% Material Safety Data Sheet
Synonym: None Known
CAS: 7203-67-0
Section 1 - Chemical Product MSDS Name:Tetraethylbutylene-1 4-diphosphonate 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7203-67-0 Tetraethylbutylene-1,4-diphosphonate 98% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7203-67-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H28O6P2
Molecular Weight: 330.14

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7203-67-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetraethylbutylene-1,4-diphosphonate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7203-67-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7203-67-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7203-67-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases S24/25

 Synthetic Route

~93%

Tetraethyl butane-1,4-diylbis(phosphonate) Structure

Tetraethyl buta...

CAS#:7203-67-0

Literature: Griffith, Julie A.; McCauley, David J.; Barrans Jr., Richard E.; Herlinger, Albert W. Synthetic Communications, 1998 , vol. 28, # 23 p. 4317 - 4323

~%

Tetraethyl butane-1,4-diylbis(phosphonate) Structure

Tetraethyl buta...

CAS#:7203-67-0

Literature: Baizer,M.M.; Anderson,J.D. Journal of Organic Chemistry, 1965 , vol. 30, p. 3138 - 3141

~%

Tetraethyl butane-1,4-diylbis(phosphonate) Structure

Tetraethyl buta...

CAS#:7203-67-0

Literature: Bogonoszewa Uchenye Zapiski, Kazanskii Gosudarstvennyi Universitet, 1956 , vol. 116, # 2 p. 71,108, 109 Chem.Abstr., 1957 , p. 6581 Show Details Schwarzenbach; Zurc Monatshefte fuer Chemie, 1950 , vol. 81, p. 202,206

~%

Tetraethyl butane-1,4-diylbis(phosphonate) Structure

Tetraethyl buta...

CAS#:7203-67-0

Literature: Tian, Tao; Yang, Weiting; Wang, Hao; Dang, Song; Sun, Zhong-Ming Inorganic Chemistry, 2013 , vol. 52, # 15 p. 8288 - 8290

 Synonyms

Butandiyl-bis-phosphonsaeure-tetraaethylester
butanediyl-bis-phosphonic acid tetraethyl ester
TETRAETHYL BUTYLENEDIPHOSPHONATE
1,4-Bis-diaethoxyphosphoryl-butan
Tetraethylbutylene-1,4-diphosphonate
Butandiyldiphosphonsaeure-tetraaethylester
MFCD00015135
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