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CAS No.: | 6342-60-5 |
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Name: | 2-Chloro-5-methylbenzoic acid |
Molecular Structure: | |
Formula: | C8H7ClO2 |
Molecular Weight: | 170.595 |
Synonyms: | m-Toluicacid, 6-chloro- (6CI,7CI);2-Chloro-5-methylbenzoic acid;NSC 46623; |
Density: | 1.31 g/cm3 |
Melting Point: | 148-151 °C |
Boiling Point: | 291.3 °C at 760 mmHg |
Flash Point: | 129.9 °C |
Appearance: | off-white to beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 37.30000 |
LogP: | 2.34660 |
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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