Cas no 871329-84-9 ((3-carboxy-5-fluoro)benzeneboronic acid)

(3-carboxy-5-fluoro)benzeneboronic acid structure

871329-84-9 structure

Product Name:(3-carboxy-5-fluoro)benzeneboronic acid

CAS No:871329-84-9

MF:C₇H₆BFO₄

MW:183.929545879364

MDL:MFCD07363791

CID:719307

PubChem ID:329763725

Update Time:2024-10-26

(3-carboxy-5-fluoro)benzeneboronic acid Chemical and Physical Properties

Names and Identifiers

- 3-Borono-5-fluorobenzoic acid
- 3-Carboxy-5-fluorobenzeneboronic acid
- 3-Carboxy-5-fluorophenylboronic Acid (contains varying amounts of Anhydride)
- (3-Carboxy-5-Fluoro)Benzeneboronic Acid
- 3-borono-5-fluoro-benzoic acid
- 3-Carboxy-5-fluorophenylboronic acid
- 3-Fluoro-5-Carboxyphenylboronic acid
- Benzoic acid,3-borono-5-fluoro-
- 3-Carboxy-5-fluorobenzeneboronic Acid (contains varying amounts of Anhydride)
- 3-Borono-5-fluorobenzoic acid (ACI)
- 3-(Dihydroxyboranyl)-5-fluorobenzoic acid
- 5-Borono-3-fluorobenzoic acid
- DB-128240
- SCHEMBL1933748
- DTXSID90660112
- AKOS015836259
- 3-Carboxy-5-fluorobenzeneboronic acid(contains varying amounts of Anhydride)
- SY024026
- APHPXZJIUTVQNC-UHFFFAOYSA-N
- 3-Carboxy-5-fluorophenylboronic acid, >=95%
- AS-55272
- 3-Borono-5-fluorobenzoicacid
- I12387
- 871329-84-9
- AB30780
- MFCD07363791
- (3-carboxy-5-fluoro)benzeneboronic acid
- MDL： MFCD07363791
- Inchi： 1S/C7H6BFO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
- InChI Key： APHPXZJIUTVQNC-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(B(O)O)C=C(F)C=1)O

Computed Properties

Exact Mass: 184.03400
Monoisotopic Mass: 184.034
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 2
Complexity: 199
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: 77.8A^2

Experimental Properties

Density: 1.49±0.1 g/cm3 (20 oC 760 Torr)
Melting Point: 112-116?°C
Boiling Point: 434°C at 760 mmHg
Flash Point: 216.3°C
Refractive Index: 1.559
PSA: 77.76000
LogP: -0.79630

(3-carboxy-5-fluoro)benzeneboronic acid Security Information

Symbol:
Prompt：warning
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：nwg
Hazard Category Code： 36/37/38
Safety Instruction： 26
Hazardous Material Identification：

(3-carboxy-5-fluoro)benzeneboronic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C123998-1g	(3-carboxy-5-fluoro)benzeneboronic acid	871329-84-9	98%	1g	￥129.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C123998-250mg	(3-carboxy-5-fluoro)benzeneboronic acid	871329-84-9	98%	250mg	￥102.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C123998-25g	(3-carboxy-5-fluoro)benzeneboronic acid	871329-84-9	98%	25g	￥2064.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	C123998-5g	(3-carboxy-5-fluoro)benzeneboronic acid	871329-84-9	98%	5g	￥516.90	2023-09-03
Alichem	A019093392-25g	3-Borono-5-fluorobenzoic acid	871329-84-9	98%	25g	$998.00	2023-08-31
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R005916-1g	(3-carboxy-5-fluoro)benzeneboronic acid	871329-84-9	98%	1g	￥90	2024-05-21
TRC	C178375-100mg	3-Carboxy-5-fluorophenylboronic acid	871329-84-9		100mg	$ 64.00	2023-04-18
TRC	C178375-250mg	3-Carboxy-5-fluorophenylboronic acid	871329-84-9		250mg	$ 75.00	2023-04-18
TRC	C178375-500mg	3-Carboxy-5-fluorophenylboronic acid	871329-84-9		500mg	$ 87.00	2023-04-18
TRC	C178375-1g	3-Carboxy-5-fluorophenylboronic acid	871329-84-9		1g	$ 98.00	2023-04-18

(3-carboxy-5-fluoro)benzeneboronic acid Production Method

Production Method 1

850593-06-5

871329-84-9

Reaction Conditions

1.1 Reagents: Sodium hydroxide , Tetrabutylammonium bromide , Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ; cooled; 3 h, rt

Reference

Research progress on synthesis of 3-borono-5-fluorobenzoic acid

Sun, Hai-xia; et al, Guangzhou Huagong, 2015, 43(5), 80-81

Production Method 2

202865-83-6

871329-84-9

Reaction Conditions

1.1 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ; rt → -78 °C
1.2 Reagents: Butyllithium ; -78 °C; 1.5 h, -78 °C
1.3 Reagents: Hydrochloric acid Solvents: Water
2.1 Reagents: Sodium hydroxide , Tetrabutylammonium bromide , Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ; cooled; 3 h, rt

Reference

Research progress on synthesis of 3-borono-5-fluorobenzoic acid

Sun, Hai-xia; et al, Guangzhou Huagong, 2015, 43(5), 80-81

(3-carboxy-5-fluoro)benzeneboronic acid Raw materials

(3-carboxy-5-fluoro)benzeneboronic acid Preparation Products

(3-carboxy-5-fluoro)benzeneboronic acid (871329-84-9)

(3-carboxy-5-fluoro)benzeneboronic acid Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:871329-84-9)(3-carboxy-5-fluoro)benzeneboronic acid

Order Number:A841996

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 06:55

Price ($):360.0

Email:[email protected]

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