5-(Chloromethyl)-2-methoxybenzoic acid supplier

Name
5-(Chloromethyl)-2-methoxybenzoic acid
EINECS
CAS No. 3641-23-4
Article Data3
CAS DataBase
Density 1.305 g/cm³
Solubility
Melting Point 97-98 °C
Formula C₉H₉ClO₃
Boiling Point 354.6 °C at 760 mmHg
Molecular Weight 200.622
Flash Point 168.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Anisicacid, 5-(chloromethyl)- (7CI,8CI);5-Chloromethyl-2-methoxybenzoic acid;NSC136460;
PSA 46.53000
LogP 2.13220

5-(Chloromethyl)-2-methoxybenzoic acid Specification

The 5-(Chloromethyl)-2-methoxybenzoic acid, with the cas registry number of 3641-23-4, is also known as Benzoic acid, 5-(chloromethyl)-2-methoxy-. This chemical's molecular formula is C₉H₉ClO₃ and formula weight is 200.62. What's more, both its IUPAC name and systematic name are the same which is called 5-(Chloromethyl)-2-methoxybenzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 49.62 cm³; (9)Molar Volume: 153.6 cm³; (10)Surface Tension: 46.5 dyne/cm; (11)Enthalpy of Vaporization: 63.28 kJ/mol; (12)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(OC)c(C(=O)O)c1;
(2)InChI: InChI=1/C9H9ClO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,5H2,1H3,(H,11,12);
(3)InChIKey: LXSPNZGYCRQFSD-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,5H2,1H3,(H,11,12);
(5)Std. InChIKey: LXSPNZGYCRQFSD-UHFFFAOYSA-N.

Product Name

5-(Chloromethyl)-2-methoxybenzoic acid

5-(Chloromethyl)-2-methoxybenzoic acid Specification

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