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2-Chloro-5-methylbenzoic acid

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Name

2-Chloro-5-methylbenzoic acid

EINECS N/A
CAS No. 6342-60-5 Density 1.31 g/cm3
PSA 37.30000 LogP 2.34660
Solubility N/A Melting Point 148-151 °C
Formula C8H7ClO2 Boiling Point 291.3 °C at 760 mmHg
Molecular Weight 170.595 Flash Point 129.9 °C
Transport Information N/A Appearance off-white to beige powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6342-60-5 (2-Chloro-5-methylbenzoic acid) Hazard Symbols IrritantXi
Synonyms

m-Toluicacid, 6-chloro- (6CI,7CI);2-Chloro-5-methylbenzoic acid;NSC 46623;

 

2-Chloro-5-methylbenzoic acid Specification

This chemical is called 2-Chloro-5-methylbenzoic acid, and its systematic name is 2-chloro-5-methylbenzoic acid. With the molecular formula of C8H7ClO2, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acids & Esters; Chlorine Compounds. The CAS registry number of this chemical is 6342-60-5. In addition, this chemical should be sealed in the cool and dry place. 

Other characteristics of the 2-Chloro-5-methylbenzoic acid can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.02; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 42.9 cm3; (14)Molar Volume: 130.1 cm3; (15)Polarizability: 17×10-24cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 129.9 °C; (19)Enthalpy of Vaporization: 56.05 kJ/mol; (20)Boiling Point: 291.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000904 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(ccc1Cl)C
2.InChI: InChI=1/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
3.InChIKey: LEBWXJZAWTVKFL-UHFFFAOYAW

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