diethyl 4-aminobenzylphosphonate

Modify Date: 2024-01-09 13:12:41

diethyl 4-aminobenzylphosphonate Structure
diethyl 4-aminobenzylphosphonate structure
Common Name diethyl 4-aminobenzylphosphonate
CAS Number 20074-79-7 Molecular Weight 243.23900
Density 1.153g/cm3 Boiling Point 383.3ºC at 760mmHg
Molecular Formula C11H18NO3P Melting Point 90-94 °C(lit.)
MSDS USA Flash Point 185.6ºC

 Names

Name 4-(diethoxyphosphorylmethyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.153g/cm3
Boiling Point 383.3ºC at 760mmHg
Melting Point 90-94 °C(lit.)
Molecular Formula C11H18NO3P
Molecular Weight 243.23900
Flash Point 185.6ºC
Exact Mass 243.10200
PSA 71.36000
LogP 3.61610
Vapour Pressure 4.44E-06mmHg at 25°C
Index of Refraction 1.521

 MSDS

Name: Diethyl p-aminobenzylphosphonate Material Safety Data Sheet
Synonym: p-aminobenzylphosphoric acid diethyl ester
CAS: 20074-79-7
Section 1 - Chemical Product MSDS Name:Diethyl p-aminobenzylphosphonate Material Safety Data Sheet
Synonym:p-aminobenzylphosphoric acid diethyl ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
20074-79-7 Diethyl p-aminobenzylphosphonate 100.0 243-504-8
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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Antidote: None reported.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 20074-79-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 91.00 - 94.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H18NO3P
Molecular Weight: 243.24

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Phosphine, carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 20074-79-7: SZ6480000 LD50/LC50:
Not available.
Carcinogenicity:
Diethyl p-aminobenzylphosphonate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 20074-79-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20074-79-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20074-79-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6480000
CHEMICAL NAME :
Phosphonic acid, p-aminobenzyl-, diethyl ester
CAS REGISTRY NUMBER :
20074-79-7
BEILSTEIN REFERENCE NO. :
2941613
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-N-O3-P
MOLECULAR WEIGHT :
243.27
WISWESSER LINE NOTATION :
ZR D1PO&O2&O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05125

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS SZ6480000
HS Code 2931900090

 Synthetic Route

~56%

diethyl 4-aminobenzylphosphonate Structure

diethyl 4-amino...

CAS#:20074-79-7

Literature: ARDELYX, INC.; CHARMOT, Dominique; JACOBS, Jeffrey, W.; LEADBETTER, Michael, Robert; NAVRE, Marc; CARRERAS, Chris; BELL, Noah Patent: WO2010/78449 A2, 2010 ; Location in patent: Page/Page column 152 ; WO 2010/078449 A2

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diethyl 4-aminobenzylphosphonate Structure

diethyl 4-amino...

CAS#:20074-79-7

Literature: Journal of the American Chemical Society, , vol. 81, p. 3026,3029

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diethyl 4-aminobenzylphosphonate Structure

diethyl 4-amino...

CAS#:20074-79-7

Literature: Journal of Medicinal Chemistry, , vol. 52, # 10 p. 3317 - 3327

 Customs

HS Code 2931900090
Summary 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

diethyl-4-aminomethyl-phosphonate
DIETHYL 4-AMINOBENZYLPHOSPHONATE
4-aminobenzylphosphonic acid diethyl ester
Diethyl p-aminobenzylphosphonate
MFCD00007913
p-Aminobenzylphosphonic acid diethyl ester
EINECS 243-504-8
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