51956-33-3

Basic information

• Product Name: BARIUM CARBONATE-13C
• Synonyms: BARIUM CARBONATE-(13)C, 98 (ATOM % (13)C );BARIUM CARBONATE (13C, 99%);BariumCarbonate99.99%;Carbonic-13C Acid BariuM Salt;BARIUM CARBONATE-13C
• CAS NO: 51956-33-3
• Molecular Formula: Ba*CO₃
• Molecular Weight: 198.34
• Product Categories: Alphabetical Listings;BChemical Synthesis;Inorganic Bases;Stable Isotopes;Synthetic Reagents;Isotope Labelled Compounds
• Mol File: 51956-33-3.mol
• Article Data: 0

Chemical Properties

• Melting Point: 811 °C(lit.)
• Appearance: /
• Storage Temp.: Refrigerator
• BRN: 4826209
• CAS DataBase Reference: BARIUM CARBONATE-13C(CAS DataBase Reference)
• NIST Chemistry Reference: BARIUM CARBONATE-13C(51956-33-3)
• EPA Substance Registry System: BARIUM CARBONATE-13C(51956-33-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25
• RIDADR: UN 1564 6.1/PG 2
• WGK Germany: 1
• Hazardous Substances Data: 51956-33-3(Hazardous Substances Data)

Usage

Description

BARIUM CARBONATE-13C is a stable isotope of barium carbonate, which is a white powder. It is primarily used in scientific research and pharmaceutical applications due to its unique properties.

Uses

Used in Pharmaceutical Research:
BARIUM CARBONATE-13C is used as a research tool for studying drug metabolism. The application reason is that it provides a stable and traceable marker, allowing researchers to track and analyze the metabolic pathways of drugs in the body.
Used in Medical Imaging:
In the medical imaging industry, BARIUM CARBONATE-13C is used as a contrast agent for X-ray imaging. The application reason is its ability to enhance the visibility of certain tissues and organs, such as the gastrointestinal tract, during diagnostic procedures.
Used in Environmental Studies:
In environmental science, BARIUM CARBONATE-13C is used as a tracer for studying the movement and distribution of carbon in ecosystems. The application reason is its stable isotope nature, which allows for accurate tracking and measurement of carbon cycling processes.
Used in Industrial Processes:
In the chemical industry, BARIUM CARBONATE-13C is used as a tracer in various industrial processes. The application reason is its ability to help monitor and optimize the efficiency of these processes by providing a stable and detectable marker.

Synthetic route

methyl magnesium iodide (917-64-6) + carbon dioxide (124-38-9) + [13C]barium carbonate (51956-33-3) → [1-13C]-acetic acid (1563-79-7)

Conditions	Yield
In diethyl ether reaction at low temp.;;	97%

[13C]barium carbonate (51956-33-3) → (13)C2-acetylene (35121-31-4)

Conditions	Yield
With magnesium for 0.166667h; Heating;	84%
With magnesium Heating;
With water; magnesium 1.) heating in a quartz tube under argon; Yield given. Multistep reaction;

[13C]barium carbonate (51956-33-3) + phenylmagnesium bromide (100-58-3) → 1-(13C)benzoic acid (3880-99-7)

Conditions	Yield
	77%

phenylmagnesium bromide + [13C]barium carbonate (51956-33-3) → 1-(13C)benzoic acid (3880-99-7)

Conditions	Yield
	77%

(Z)-1-propenyl bromide (590-13-6) + [13C]barium carbonate (51956-33-3) → (Z)-<1-13C>but-2-enoic acid (99942-14-0) + (E)-<1-13C>but-2-enoic acid (88058-21-3)

Conditions	Yield
With sulfuric acid; magnesium 1.) THF, 70 deg C, 15 min; 2.) THF, -196 to -20 deg C; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

1-bromo-3-(2-bromoethyl)-4,4-dimethylpentane (758-75-8) + [13C]barium carbonate (51956-33-3) → 4-tert-butylcyclohexanone-1-(13)C (98760-45-3)

Conditions	Yield
With magnesium In tetrahydrofuran 2.) reflux;

1-bromo-4-ethylbenzene (1585-07-5) + [13C]barium carbonate (51956-33-3) → p-ethylbenzoic acid

Conditions	Yield
With magnesium 1) ether, 2) ether; Yield given. Multistep reaction;

meta-bromotoluene (591-17-3) + [13C]barium carbonate (51956-33-3) → -m-toluic acid

Conditions	Yield
With magnesium 1) ether, 2) ether; Yield given. Multistep reaction;

para-bromotoluene (106-38-7) + [13C]barium carbonate (51956-33-3) → -p-toluic acid (110625-18-8)

Conditions	Yield
With magnesium 1) ether, 2) ether; Yield given. Multistep reaction;

2-methylphenyl bromide (95-46-5) + [13C]barium carbonate (51956-33-3) → -o-toluic acid (70838-82-3)

Conditions	Yield
With magnesium 1) ether, 2) ether; Yield given. Multistep reaction;

2-nitrophenyl bromide (577-19-5) + [13C]barium carbonate (51956-33-3) → (carboxyl-(13)C)-2-nitrobenzoic acid

Conditions	Yield
With sulfuric acid; phenyllithium 1.) 45 min, 2.) -100 deg C, 2 h; Yield given. Multistep reaction;

vinyl magnesium bromide (1826-67-1) + [13C]barium carbonate (51956-33-3) → <1-13C>acrylic acid (95387-98-7)

Conditions	Yield
With sulfuric acid at -78℃;

3-(4,4-dimethyloxazolin 2-yl)anisole (73453-77-7) + [13C]barium carbonate (51956-33-3) → C12(13)CH15NO4 (107977-68-4)

Conditions	Yield
Yield given;

benzyl chloride (100-44-7) + [13C]barium carbonate (51956-33-3) → (1-13C)-phenylacetic acid (57825-33-9)

Conditions	Yield
With magnesium 1) ether, 2) ether; Yield given. Multistep reaction;

[13C]barium carbonate (51956-33-3) + 3-bromo-2-(2-methoxy-benzyl)anisole → <10-(13)C>dithranol

[13C]barium carbonate (51956-33-3) → (13)C2Ba

Conditions	Yield
With magnesium for 0.25h; Heating;

[13C]barium carbonate (51956-33-3) + C12(13)CH15NO4 (107977-68-4) + methyl chloroformate (79-22-1) → C13(13)CH17NO4

Conditions	Yield
1.) THF, -40 deg C; 2.) THF, -40 deg C; Yield given. Multistep reaction;

[13C]barium carbonate (51956-33-3) + isopropyl bromide (75-26-3) → sodium <1-(13)C>isobutyrate (71105-51-6)

Conditions	Yield
Yield given. Multistep reaction;

[13C]barium carbonate (51956-33-3) + (1-chloroethyl)benzene (672-65-1) → 2-phenyl<1-13C>propanoic acid (115952-21-1)

Conditions	Yield
With hydrogenchloride; magnesium 1.) ether, 2.) ether, RT, 6 h; Yield given. Multistep reaction;

[13C]barium carbonate (51956-33-3) → carbon dioxide (1111-72-4)

Conditions	Yield
With sulfuric acid
With phosphoric acid under 0.001 Torr; for 0.75h;
With camphor-10-sulfonic acid In water; 1,2-dichloro-benzene at 20℃; for 18h; Inert atmosphere;

manganocene (73138-26-8) + [13C]barium carbonate (51956-33-3) + diethylamine (109-89-7) → {Mn6(O2(13)CN(C2H5)2)12}

Conditions	Yield
With sulfuric acid In toluene connecting reaction flask containing toluene soln. of Mn(C5H5)2 and NH(C2H5)2 with flask containing stoich. amt. of Ba(13)CO3; closing with serum cap; evacuation; dropping concd. H2SO4 over Ba(13)CO3, stirring; restorring pressure by admitting (12)CO2;; evapn. to dryness when no more gas uptake was observed; detn. by IR spectroscopy;;

[13C]barium carbonate (51956-33-3) → (13C)-formic acid (1633-56-3) + [13C]Carbon monoxide (1641-69-6)

Conditions	Yield
With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; [Ru(2,2'-bipyridine)2(CO)2](hexafluorophosphate)2; 1-Benzyl-1,4-dihydronicotinamide; sulfuric acid In d7-N,N-dimethylformamide; water for 3h; Irradiation;

Downstream Products

• 98760-45-3 4-tert-butylcyclohexanone-1-⁽¹³⁾C 
• 110625-18-8 -p-toluic acid 
• 70838-82-3 -o-toluic acid 
• 95387-98-7 <1-13C>acrylic acid 
• 3880-99-7 1-(13C)benzoic acid 
• 107977-68-4 C₁₂⁽¹³⁾CH₁₅NO₄ 
• 57825-33-9 (1-13C)-phenylacetic acid 
• 71105-51-6 sodium <1-(13)C>isobutyrate 
• 115952-21-1 2-phenyl<1-¹³C>propanoic acid 
• 1111-72-4 carbon dioxide 
• 1563-79-7 [1-13C]-acetic acid 
• 1633-56-3 (¹³C)-formic acid 
• 1641-69-6 [13C]Carbon monoxide