(3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid

Modify Date: 2024-01-10 20:37:07

(3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid Structure
(3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid structure
Common Name (3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid
CAS Number 78266-06-5 Molecular Weight 387.22600
Density 1.5766 (rough estimate) Boiling Point 577.4ºC at 760 mmHg
Molecular Formula C15H19BrN2O5 Melting Point 193-198ºC
MSDS USA Flash Point 303ºC

 Use of (3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid


Mebrofenin (SQ 26962) is a type of iminodiacetic acid (IDA). Mebrofenin is available as a ready to use the kit for radio-labeling with Tc-99m. Tc-99m Mebrofenin, a diagnostic agent, is used for hepatobiliary imaging. Tc-99m Mebrofenin is the radiopharmaceutical of choice for the evaluation of hepatic function[1][2].

 Names

Name 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
Synonym More Synonyms

  Biological Activity

Description Mebrofenin (SQ 26962) is a type of iminodiacetic acid (IDA). Mebrofenin is available as a ready to use the kit for radio-labeling with Tc-99m. Tc-99m Mebrofenin, a diagnostic agent, is used for hepatobiliary imaging. Tc-99m Mebrofenin is the radiopharmaceutical of choice for the evaluation of hepatic function[1][2].
Related Catalog
In Vitro Tc-99m Mebrofenin is a 99mTc-labeled iminodiacetic (IDA) derivate, originally used for the diagnosis of a multitude of biliary diseases and, since recently, for the assessment of liver function[3].
References

[1]. Matthews R, et al. Tc-99m mebrofenin hepatobiliary scan in obstructive hepatobiliary disease: determining causes with early and late delayed imaging. World J Nucl Med. 2013 May;12(2):54-6.

[2]. Morandi F, et al. Transsplenic portal scintigraphy using 99mTc-mebrofenin in normal dogs. Vet Radiol Ultrasound. 2007 May-Jun;48(3):286-91.

[3]. de Graaf W, et al. Transporters involved in the hepatic uptake of (99m)Tc-mebrofenin and indocyanine green. J Hepatol. 2011 Apr;54(4):738-45.

 Chemical & Physical Properties

Density 1.5766 (rough estimate)
Boiling Point 577.4ºC at 760 mmHg
Melting Point 193-198ºC
Molecular Formula C15H19BrN2O5
Molecular Weight 387.22600
Flash Point 303ºC
Exact Mass 386.04800
PSA 106.94000
LogP 1.85700
Index of Refraction 1.6520 (estimate)
Storage condition -20°C
Water Solubility Soluble in dimethylsulphoxide and ethanol. Insoluble in water.

 MSDS

Name: N-(3-Bromo-2 4 6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid Material Safety Data Sheet
Synonym: Mebrofenin
CAS: 78266-06-5
Section 1 - Chemical Product MSDS Name:N-(3-Bromo-2 4 6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid Material Safety Data Sheet
Synonym:Mebrofenin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
78266-06-5 N-(3-Bromo-2,4,6-Trimethylphenylcarbam 98 278-877-6
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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:

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 agent most appropriate to extinguish fire. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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:
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:
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# 78266-06-5: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: light beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 193.00 - 198.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: 196 deg C ( 384.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 196 deg C
Solubility in water: soluble in methanol and ethanol
Specific Gravity/Density:
Molecular Formula: C15H19BrN2O5
Molecular Weight: 387.22

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 78266-06-5: MB9121850 LD50/LC50:
Not available.
Carcinogenicity:
N-(3-Bromo-2,4,6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 78266-06-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 78266-06-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 78266-06-5 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 :
MB9121850
CHEMICAL NAME :
Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethy l)-N-(carboxymethyl)-
CAS REGISTRY NUMBER :
78266-06-5
LAST UPDATED :
199009
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C15-H19-Br-N2-O5
MOLECULAR WEIGHT :
387.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
484 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
226 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
214 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984

 Safety Information

Hazard Codes Xn
Risk Phrases 36/37/38
Safety Phrases 24/25
RIDADR NONH for all modes of transport
RTECS MB9121850
HS Code 2924299090

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

UNII-7PV0B6ED98
MEBROFENIN
MFCD00216974
Choletec
EINECS 278-877-6