Benzoic acid,2-borono-5-chloro- (9CI) supplier

Name
(2-CARBOXY-4-CHLORO)BENZENEBORONIC ACID
EINECS
CAS No. 850568-07-9
Density 1.552 g/cm³
Solubility
Melting Point 300 °C
Formula C₇H₆BClO₄
Boiling Point 423.797 °C at 760 mmHg
Molecular Weight 200.38
Flash Point 210.105 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Carboxy-4-chlorobenzeneboronic acid;
PSA 77.76000
LogP -0.28200

Benzoic acid,2-borono-5-chloro- (9CI) Specification

The Benzoic acid,2-borono-5-chloro- (9CI), with the CAS registry number 850568-07-9, is also known as 2-Carboxy-4-chlorobenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₇H₆BClO₄ and molecular weight is 200.38. What's more, its systematic name is called 5-Chloro-2-(dihydroxyboranyl)benzoic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. You should keep it in a cold place.

Physical properties about Benzoic acid,2-borono-5-chloro- (9CI) are: (1) ACD/LogP: 1.59; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) Vapour Pressure: 0 mmHg at 25°C; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 4; (8) ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 77.76 Å²; (13) Index of Refraction: 1.604; (14) Molar Refractivity: 44.392 cm³; (15) Molar Volume: 129.114 cm³; (16) Surface Tension: 66.936 dyne/cm; (17) Density: 1.552 g/cm³; (18) Flash Point: 210.105 °C; (19) Enthalpy of Vaporization: 71.495 kJ/mol ; (20) Boiling Point: 423.797 °C at 760 mmHg; (21) Melting Point: 300 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(Cl)cc1C(O)=O
(2) InChI: InChI=1/C7H6BClO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)
(3) InChIKey: RENDEFHQQIYNJL-UHFFFAOYAN

Product Name

(2-CARBOXY-4-CHLORO)BENZENEBORONIC ACID

Benzoic acid,2-borono-5-chloro- (9CI) Specification

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