Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Chloro-4-methylbenzoic acid

Related Products

Hot Products

Name

3-Chloro-4-methylbenzoic acid

EINECS N/A
CAS No. 5162-82-3 Density 1.31 g/cm3
PSA 37.30000 LogP 2.34660
Solubility N/A Melting Point 208-209 ºC
Formula C8H7ClO2 Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 170.595 Flash Point 138 °C
Transport Information N/A Appearance white or yellowish powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5162-82-3 (3-Chloro-4-methylbenzoic acid) Hazard Symbols IrritantXi
Synonyms

p-Toluicacid, 3-chloro- (6CI,7CI,8CI);3-Chloro-4-methylbenzoic acid;3-Chloro-p-toluicacid;

Article Data 11

3-Chloro-4-methylbenzoic acid Specification

The IUPAC name of this chemical is 3-Chloro-4-methylbenzoic acid. With the CAS registry number 5162-82-3, it is also named as Benzoicacid, 3-chloro-4-methyl-. In addition, the molecular formula is C8H7ClO2 and the molecular weight is 170.593. It belongs to the classes of Acids and Derivatives; Halides; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. It is a white to light yellow crystal powder. And it should be stored in a airtight, cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 6.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.53; (8)ACD/KOC (pH 7.4): 1.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 42.9 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 17 ×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 138 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000381 mmHg at 25°C.

Preparation of 3-Chloro-4-methylbenzoic acid: it can be prepared by 3-chloro-4-methyl-benzonitrile. This reaction will need aq.NaOH. The reaction time is 8 hours by heating. The yield is about 94%.

3-Chloro-4-methylbenzoic acid can be prepared by 3-chloro-4-methyl-benzonitrile

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, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This material may have harm to the environment, especially to the water.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)O)ccc1C
(2)InChI: InChI=1/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
(3)InChIKey: SDKUOEOJAXGCLU-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 208mg/kg (208mg/kg)   Progress in Medical Chemistry. Vol. 5, Pg. 59, 1967.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 5162-82-3