4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid - Names and Identifiers

Name	1,3,5-Tri(4-carboxyphenyl)benzene
Synonyms	H3BTB 1,3,5-Tri(4-carboxyphenyl)benzene 1,4-Di-(4-carboxyphenyl)-naphthalene 4',4'',4'''-Benzene-1,3,5-tribenzoic acid 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid 4,4μ,4μμ,-Benzene-1,3,5-triyl-tris(benzoic acid)
CAS	50446-44-1
InChIKey	SATWKVZGMWCXOJ-UHFFFAOYSA-N

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid - Physico-chemical Properties

Molecular Formula	C27H18O6
Molar Mass	438.43
Density	1.357±0.06 g/cm3(Predicted)
Melting Point	322-327 °C
Boling Point	711.0±60.0 °C(Predicted)
Solubility	Soluble in tetrahydrofuran.
Appearance	morphological solid
Color	white to yellow
pKa	3.46±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
MDL	MFCD10000888
Use	Uses 1,3, 5-tris (4-carboxyphenyl) benzene (H3BTB) is also called 4-[3, 5-bis (4-carboxyphenyl) benzene] benzoic acid, which is a new type of tricarboxylic aromatic compounds. At present, it is mainly used as low molecular semiconductor blocks, dendritic polymer synthetic blocks, metal-organic framework (MOF) and porous coordination polymer blocks.

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid - Risk and Safety

Risk Codes	R10 - Flammable R48/20 - R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R63 - Possible risk of harm to the unborn child R65 - Harmful: May cause lung damage if swallowed R67 - Vapors may cause drowsiness and dizziness R36/38 - Irritating to eyes and skin.
Safety Description	S36/37 - Wear suitable protective clothing and gloves. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	UN 3175 4.1/PG 2
WGK Germany	3
HS Code	29173990
Hazard Class	9

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid - Uses and synthesis methods

application

1,3, 5-tris (4-carboxyphenyl) benzene can be used as a structural unit of the metal organic framework (MOF). 1,3, 5-tris (4-carboxyphenyl) benzene is a three-dimensional microporous material, which has application prospects in the field of gas adsorption and separation technology. It is a hydrogen adsorption material with a hydrogen storage capacity of up to 7.5% at 77K.

method of synthesis

add 1.0g of 1,3,5-tris (4-methylphenyl) benzene, HNO31.5 mL and 6.0mL of water to a 25mL tetrafluoro-lined hydrothermal reaction kettle, tighten the lid and release it into an electric heating oven for 24 hours at 170 ℃. After the reaction is completed, it is naturally cooled to room temperature and the reaction kettle is taken out. Pour the reaction product into a 250mL beaker, add 1mol.L-1 of NaOH solution under stirring, and adjust the pH value of the solution to be weakly alkaline. Place the beaker on a magnetic stirrer and stir for 1h. Filtration with a Brinell funnel to remove unoxidized 1,3, 5-tris (4-methylphenyl) benzene). Under stirring, slowly add 1mol.L-hydrochloric acid solution to the filtrate to make the solution weakly acidic. Solid products are precipitated during this process. The solid product is obtained by suction filtration, and the obtained solid is dried in a vacuum drying oven to remove water to obtain 0.958g of the product with a yield of about 76%.

Last Update：2024-04-09 19:04:56