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Name |
Boronic acid,B-(3-chloro-2-methylphenyl)- |
EINECS | N/A |
CAS No. | 313545-20-9 | Density | 1.26 g/cm3 |
PSA | 40.46000 | LogP | 0.32820 |
Solubility | N/A | Melting Point |
142-146 °C |
Formula | C7H8BClO2 | Boiling Point | 325.3 °C at 760 mmHg |
Molecular Weight | 170.403 | Flash Point | 150.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (3-chloro-2-methylphenyl)- (9CI);3-Chloro-2-methylbenzeneboronic acid;3-Chloro-2-methylphenylboronic acid; |
The CAS register number of Boronic acid,B-(3-chloro-2-methylphenyl)- is 313545-20-9. It also can be called as 3-Chloro-2-methylbenzeneboronic acid and the systematic name about this chemical is (3-chloro-2-methylphenyl)boronic acid. The molecular formula about this chemical is C7H8BClO2 and the molecular weight is 170.4. It belongs to the following product categories which include Blocks; BoronicAcids; Aryl; Organoborons and so on.
Physical properties about Boronic acid,B-(3-chloro-2-methylphenyl)- are: (1)ACD/LogP: 2.64; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 18.46Å2; (6)Index of Refraction: 1.549; (7)Molar Refractivity: 42.73 cm3; (8)Molar Volume: 134.3 cm3; (9)Polarizability: 16.94x10-24cm3; (10)Surface Tension: 44.5 dyne/cm; (11)Flash Point: 150.6 °C; (12)Enthalpy of Vaporization: 59.9 kJ/mol; (13)Boiling Point: 325.3 °C at 760 mmHg; (14)Vapour Pressure: 9.46E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(B(O)O)c1C
(2)InChI: InChI=1/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
(3)InChIKey: BJPNVVXTUYMJPN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
(5)Std. InChIKey: BJPNVVXTUYMJPN-UHFFFAOYSA-N