1,2-Bis(di-tert-butyl phosphinomethyl)benzene

Modify Date: 2026-07-02 12:17:28

1,2-Bis(di-tert-butyl phosphinomethyl)benzene Structure
1,2-Bis(di-tert-butyl phosphinomethyl)benzene structure
Common Name 1,2-Bis(di-tert-butyl phosphinomethyl)benzene
CAS Number 121954-50-5 Molecular Weight 394.554
Density N/A Boiling Point 456.7±38.0 °C at 760 mmHg
Molecular Formula C24H44P2 Melting Point 59-62ºC
MSDS Chinese USA Flash Point 243.6±33.1 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point 456.7±38.0 °C at 760 mmHg
Melting Point 59-62ºC
Molecular Formula C24H44P2
Molecular Weight 394.554
Flash Point 243.6±33.1 °C
Exact Mass 394.291809
PSA 27.18000
LogP 8.05
Appearance of Characters crystal | white
Vapour Pressure 0.0±1.1 mmHg at 25°C
InChIKey SFCNPIUDAIFHRD-UHFFFAOYSA-N
SMILES CC(C)(C)P(Cc1ccccc1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.


Section 1: Product Identification
Chemical Name:alpha,alpha'-Bis(di-t-butylphosphino)-o-xylene, min. 97%
CAS Registry Number:121954-50-5
Formula:C6H4[CH2P(C4H9)2]2
EINECS Number:none
Chemical Family:organophosphine ligand
Synonym:1,2-Bis(di-t-butylphosphinomethyl)benzene

Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound121954-50-5100%no datano data

Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure:Ingestion, inhalation
Eye Contact:Causes slight to mild irritation of the eyes
Skin Contact:Causes slight to mild irritation of the skin.
Inhalation:Irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects:Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information available on the effects of long-term exposure.
NTP:No
IARC:No
OSHA:No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
Flash Point:no data
Autoignition Temperature:none
Explosion Limits:none
Extinguishing Medium:carbon dioxide, dry powder or foam
If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable solid. No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.

SECTION 7: Handling and Storage
Handling and Storage:Material will degrade on exposure to air. Handle and store under an inert atmosphere of nitrogen or argon.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves.
Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection:No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form:white xtl.
Molecular Weight:394.56
Melting Point:59-62°
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:no data
Solubility in Water:no data

SECTION 10: Stability and Reactivity
Stability:air-sensitive solid
Hazardous Polymerization:none
Conditions to Avoid:none
Incompatibility:oxidizing agents, halogens
Decomposition Products:carbon dioxide, carbon monoxide, organic fumes, and phosphorus oxides.

SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:No data available
Mutagenic Effects:No data available
Tetratogenic Effects:No data available

SECTION 12: Ecological Information
Ecological Information:No information available

SECTION 13: Disposal Considerations
Disposal:Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA

SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory.
SARA (Title 313):Not reportable under SARA Title 313
Second Ingredient:none


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Risk Phrases R36/37/38
Safety Phrases S26
RIDADR NONH for all modes of transport
WGK Germany 3

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~55%

1,2-Bis(di-tert-butyl phosphinomethyl)benzene Structure

1,2-Bis(di-tert...

CAS#:121954-50-5

Learn More
Literature: Ineos Acrylics UK Limited Patent: US6335471 B1, 2002 ; Location in patent: Page column 4 ;

~22%

1,2-Bis(di-tert-butyl phosphinomethyl)benzene Structure

1,2-Bis(di-tert...

CAS#:121954-50-5

Learn More
Literature: Ineos Acrylics UK Limited Patent: US6335471 B1, 2002 ; Location in patent: Page column 5 ;

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

[1,2-Phenylenebis(methylene)]bis[bis(2-methyl-2-propanyl)phosphine]
1,2-bis(ditertbutylphosphinomethyl)benzene
MFCD03094573
1,2-Bis(di-tert-butyl phosphinomethyl)benzene

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: Boiling point of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is 456.7±38.0 °C at 760 mmHg.
Q: What is the physical appearance of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane appears as crystal | white.
Q: What is the InChIKey of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: InChIKey of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is SFCNPIUDAIFHRD-UHFFFAOYSA-N.
Q: What is the SMILES notation of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: SMILES notation of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is CC(C)(C)P(Cc1ccccc1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
Q: What is the molecular formula of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: Molecular formula of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is C24H44P2.
Q: What is the LogP of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: LogP of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is 8.05.
Q: What is the CAS number of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: CAS number of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is 121954-50-5.
Q: What is the melting point of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: Melting point of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is 59-62ºC.
Q: What is the polar surface area (PSA) of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane?
A: Polar surface area (PSA) of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane is 27.18000.
Q: What English synonyms does ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane have?
A: English synonyms of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane: [1,2-Phenylenebis(methylene)]bis[bis(2-methyl-2-propanyl)phosphine], 1,2-bis(ditertbutylphosphinomethyl)benzene, MFCD03094573, 1,2-Bis(di-tert-butyl phosphinomethyl)benzene.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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