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CAS No.: | 16273-37-3 |
---|---|
Name: | 3-Chlorophenylglycolic acid |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C8H7ClO3 |
Molecular Weight: | 186.595 |
Synonyms: | Pentanoicacid, 2-propyl-, magnesium salt (9CI);2-(3-Chlorophenyl)-2-hydroxyacetic acid;(3-Chlorophenyl)(hydroxy)acetic acid; |
EINECS: | 240-376-5 |
Density: | 1.468 g/cm3 |
Melting Point: | 111-113 °C |
Boiling Point: | 348.211 °C at 760 mmHg |
Flash Point: | 164.393 °C |
Appearance: | white crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 57.53000 |
LogP: | 1.45800 |
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The CAS registry number of Benzeneacetic acid,3-chloro-a-hydroxy- is 16273-37-3. Its EINECS registry number is 240-376-5. The IUPAC name is 2-(3-chlorophenyl)-2-hydroxyacetic acid. In addition, the molecular formula is C8H7ClO3 and the molecular weight is 186.59. What's more, it belongs to the classes of Fine Chemical & Intermediates; Organic acids. And it should be stored in a cool and dry place.
Physical properties of Benzeneacetic acid,3-chloro-a-hydroxy- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -2.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 43.79 cm3; (15)Polarizability: 17.36 ×10-24cm3; (16)Molar Volume: 127 cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 164.4 °C; (20)Enthalpy of Vaporization: 62.53 kJ/mol; (21)Boiling Point: 348.2 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It 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)Canonical SMILES: C1=CC(=CC(=C1)Cl)C(C(=O)O)O
(2)InChI: InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
(3)InChIKey: SAMVPMGKGGLIPF-UHFFFAOYAI