-
Name
(4-AMINOCARBONYL-3-CHLORO)BENZENEBORONIC ACID
- EINECS
- CAS No. 850589-52-5
- Density 1.47 g/cm3
- Solubility
- Melting Point 152-158 °C
- Formula C7H7BClNO3
- Boiling Point 399.6 °C at 760 mmHg
- Molecular Weight 199.401
- Flash Point 195.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Boronicacid, [4-(aminocarbonyl)-3-chlorophenyl]- (9CI);(4-(Aminocarbonyl)-3-chlorophenyl)boronic acid;4-Carbamoyl-3-chlorophenylboronicacid;[3-Chloro-4-carbamoylphenyl]boronic acid;
- PSA 83.55000
- LogP -0.18100
Boronic acid,B-[4-(aminocarbonyl)-3-chlorophenyl]- Specification
The systematic name of Boronic acid,B-[4-(aminocarbonyl)-3-chlorophenyl]- is (4-carbamoyl-3-chloro-phenyl)boronic acid. With the CAS registry number 850589-52-5, it is also named as [3-Chloro-4-carbamoylphenyl]boronic acid. The product's categories are Blocks; Boronic Acids; Carboxes. In addition, its molecular formula is C7H7BClNO3 and its molecular weight is 199.4.
The other characteristics of Boronic acid,B-[4-(aminocarbonyl)-3-chlorophenyl]- can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)#H bond acceptors: 4; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 83.55 Å2; (8)Index of Refraction: 1.602; (9)Molar Refractivity: 46.48 cm3; (10)Molar Volume: 135.3 cm3; (11)Polarizability: 18.42×10-24cm3; (12)Surface Tension: 63.5 dyne/cm; (13)Density: 1.47 g/cm3; (14)Flash Point: 195.5 °C; (15)Melting Point: 152-158 °C; (16)Enthalpy of Vaporization: 68.59 kJ/mol; (17)Boiling Point: 399.6 °C at 760 mmHg; (18)Vapour Pressure: 4.19E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)N)(O)O
(2)InChI: InChI=1/C7H7BClNO3/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H2,10,11)
(3)InChIKey: ZARZNNIZDSRQFA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H7BClNO3/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H2,10,11)
(5)Std. InChIKey: ZARZNNIZDSRQFA-UHFFFAOYSA-N
Related Products
- Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
- Boronic acid,(3-amino-5-nitrophenyl)- (9CI)
- Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI)
- Boronic acid,(3-methoxy-2-pyridinyl)- (9CI)
- Boronic acid,(4-bromo-2-thienyl)- (9CI)
- Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI)
- Boronic acid,(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)- (9CI)
- Boronic acid,(5-chloro-1H-indol-2-yl)- (9CI)
- Boronic acid,(5-chloro-3-formyl-2-thienyl)-(9CI)
- 850589-53-6
- 850589-54-7
- 850589-56-9
- 850589-57-0
- 850593-02-1
- 850593-04-3
- 850593-06-5
- 850593-08-7
- 850593-10-1
- 850613-22-8
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View