H3BBC Chemical and Physical Properties

Names and Identifiers

- 1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene
- H3BBC
- 4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid
- 1,3,5-Tris(4 inverted exclamation marka-carboxy[1,1 inverted exclamation marka-biphenyl]-4-yl)benzene
- 1,3,5-Tris(4′-carboxy[1,1′-biphenyl]-4-yl)benzene
- 1,3,5-tris[4'-carboxy(1,1'-biphenyl-4-yl)]benzene
- 4,4',4''-(benzene-1,3,5-triyl-tris(benzene-4,1-diyl)tribenzoic acid)
- H3TCBPB
- TCBTB
- 5''-(4'-carboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid
- PEQRGMPXYDIZSX-UHFFFAOYSA-N
- PUBCHEM_59567202
- BCP26102
- ML01044
- 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene
- 4,4',4''-[1,3,5-Benzenetriyltris(4,1-phenylene)]trisbenzoic acid
- 4,4',4''-(Benzene-1
- 5′′-(4′-Carboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-4,4′′′′-dicarboxylic acid (ACI)
- 4,4,4′′-(Benzene-1,3,5-triyl-tris(benzene-4,1-diyl)tribenzoate
- CS-0040183
- 4'-(5-{4'-CARBOXY-[1,1'-BIPHENYL]-4-YL}-4'-(4-CARBOXYPHENYL)-[1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID
- 5''-(4'-Carboxy[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid
- 911818-75-2
- 1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene, 95%
- DTXSID00732410
- AKOS028110113
- SCHEMBL142861
- BS-51909
- MFCD15144773
- D84071
- 5''-(4'-carboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylicacid
- YSWG148
- 4,4',4''-(Benzene-1,3,5-triyl-tris(benzene-4,1-diyl))tribenzoic acid
- MDL： MFCD15144773
- Inchi： 1S/C45H30O6/c46-43(47)37-19-13-31(14-20-37)28-1-7-34(8-2-28)40-25-41(35-9-3-29(4-10-35)32-15-21-38(22-16-32)44(48)49)27-42(26-40)36-11-5-30(6-12-36)33-17-23-39(24-18-33)45(50)51/h1-27H,(H,46,47)(H,48,49)(H,50,51)
- InChI Key： PEQRGMPXYDIZSX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C2C=CC(C3C=C(C4C=CC(C5C=CC(C(O)=O)=CC=5)=CC=4)C=C(C4C=CC(C5C=CC(C(O)=O)=CC=5)=CC=4)C=3)=CC=2)=CC=1)O

Computed Properties

Exact Mass: 666.20400
Monoisotopic Mass: 666.20423867g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 6
Heavy Atom Count: 51
Rotatable Bond Count: 9
Complexity: 981
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 112
XLogP3: 10.3

Experimental Properties

Melting Point: >300?°C
PSA: 111.90000
LogP: 10.78320

H3BBC Security Information

Symbol:
Signal Word：Warning
Hazard Statement： H315-H319-H335
Warning Statement： P261-P305+P351+P338
Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：2
Hazard Category Code： 36/37/38
Safety Instruction： 26-37/39
Hazardous Material Identification：

H3BBC Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-QJ164-1g	H3BBC	911818-75-2	98%	1g	2731.0CNY	2021-07-15
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-QJ164-200mg	H3BBC	911818-75-2	98%	200mg	780.0CNY	2021-07-15
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-QJ164-50mg	H3BBC	911818-75-2	98%	50mg	318.0CNY	2021-07-15
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	706884-500MG	H3BBC	911818-75-2		500mg	￥1781.21	2023-11-27
eNovation Chemicals LLC	Y1241100-1g	1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene	911818-75-2	97%	1g	$90	2024-06-07
eNovation Chemicals LLC	Y1241100-5g	1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene	911818-75-2	97%	5g	$205	2024-06-07
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X36685-1g	5''-(4'-Carboxy-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid	911818-75-2	98%	1g	￥267.0	2024-07-18
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1110823-100mg	5''-(4'-Carboxy[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid	911818-75-2	98%	100mg	￥68.00	2024-04-25
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1110823-250mg	5''-(4'-Carboxy[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid	911818-75-2	98%	250mg	￥128.00	2024-04-25
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1110823-1g	5''-(4'-Carboxy[1,1'-biphenyl]-4-yl)[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid	911818-75-2	98%	1g	￥389.00	2024-04-25

H3BBC Production Method

Production Method 1

685114-64-1

911818-75-2

Reaction Conditions

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -70 °C; 6 h, 203 K
1.2 30 min, 203 K; 203 K → rt
1.3 Reagents: Acetic acid Solvents: Water

Reference

: A family of 2D and 3D coordination polymers involving a trigonal tritopic linker

Hauptvogel, Ines Maria; et al, Dalton Transactions, 2012, 41(14), 4172-4179

Production Method 2

911818-74-1

911818-75-2

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Methanol , Tetrahydrofuran , Water ; 2 d, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt

Reference

: Ultrahigh Porosity in Metal-Organic Frameworks

Furukawa, Hiroyasu; et al, Science (Washington, 2010, 329(5990), 424-428

Production Method 3

911818-74-1

911818-75-2

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Methanol , Tetrahydrofuran , Water ; 48 h, 60 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 3

Reference

: Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms

Jiang, Hao ; et al, Journal of the American Chemical Society, 2018, 140(28), 8858-8867

Production Method 4

685114-64-1

911818-75-2

Reaction Conditions

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -70 °C; 6 h, 203 K
1.2 30 min, 203 K; 203 K → rt
1.3 Reagents: Water ; rt
1.4 Reagents: Acetic acid ; acidified

Reference

: Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials

Hoenicke, Ines M.; et al, Angewandte Chemie, 2018, 57(42), 13780-13783

Production Method 5

685114-64-1

911818-75-2

Reaction Conditions

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ; 30 min, -70 - -60 °C; 6 h, -70 - -60 °C
1.2 30 min, -70 - -60 °C; -60 °C → rt
1.3 Reagents: Water ; rt
1.4 Reagents: Acetic acid ; acidified, rt

Reference

: On the Scalability of Supramolecular Networks - High Packing Density vs Optimized Hydrogen Bonds in Tricarboxylic Acid Monolayers

Dienstmaier, Jurgen F.; et al, Langmuir, 2010, 26(13), 10708-10716

H3BBC Raw materials

H3BBC Preparation Products

H3BBC (911818-75-2)

H3BBC Suppliers

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:911818-75-2)1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene

Order Number:sfd709

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:32

Price ($):discuss personally

Email:[email protected]

Product Official Link

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:911818-75-2)H3BBC

Order Number:A903025

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 12:13

Price ($):293.0

Email:[email protected]

Product Official Link

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2. Evidence of CO2 molecule acting as an electron acceptor on a nanoporous metal–organic-framework MIL-53 or Cr3+(OH)(O2C–C6H4–CO2)?

Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
3. Evolutionary approaches in protein engineering towards biomaterial construction

Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
4. Excitation energies from ground-state density-functionals by means of generator coordinates

A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
5. Emerging enantiomeric resolution materials with homochiral nano-fabrications

Ji-Ping Wei Nanoscale, 2015,7, 11815-11832

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Cas no 911818-75-2 (H3BBC)

H3BBC Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

H3BBC Security Information

H3BBC Pricemore >>

H3BBC Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

H3BBC Raw materials

H3BBC Preparation Products

H3BBC Suppliers

H3BBC Related Literature

911818-75-2 (H3BBC) Related Products