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CAS No.: | 95335-46-9 |
---|---|
Name: | 2-(Chloromethyl)phenylacetic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H9ClO2 |
Molecular Weight: | 184.622 |
Synonyms: | 2-Chloromethylbenzeneaceticacid;2-[2-(Chlorognbvnbvnmethyl)phenyl]acetic acid;2-[2-(Chloromethyl)phenyl]acetic acid; |
Density: | 1.277 g/cm3 |
Boiling Point: | 323.754 °C at 760 mmHg |
Flash Point: | 149.601 °C |
PSA: | 37.30000 |
LogP: | 2.05250 |
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The 2-(Chloromethyl)phenylacetic acid is an organic compound with the formula C9H9ClO2. The systematic name of this chemical is [2-(chloromethyl)phenyl]acetic acid. With the CAS registry number 95335-46-9, it is also named as 2-(Chloromethyl)phenylaceticacid.
Physical properties about 2-(Chloromethyl)phenylacetic acid are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 47.132 cm3; (14)Molar Volume: 144.572 cm3; (15)Polarizability: 18.685×10-24cm3; (16)Surface Tension: 48.194 dyne/cm; (17)Density: 1.277 g/cm3; (18)Flash Point: 149.601 °C; (19)Enthalpy of Vaporization: 59.721 kJ/mol; (20)Boiling Point: 323.754 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccccc1CC(=O)O
(2)InChI: InChI=1/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: RFYCQJHCAPCSTA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: RFYCQJHCAPCSTA-UHFFFAOYSA-N