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Name |
Benzoic acid,3-chloro-2-methoxy- |
EINECS | N/A |
CAS No. | 3260-93-3 | Density | 1.352 g/cm3 |
PSA | 46.53000 | LogP | 2.04680 |
Solubility | N/A | Melting Point |
118-123 °C |
Formula | C8H7ClO3 | Boiling Point | 306.4 °C at 760 mmHg |
Molecular Weight | 186.595 | Flash Point | 139.1 °C |
Transport Information | UN 2811 6.1/PG 3 | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
o-Anisicacid, 3-chloro- (6CI,7CI,8CI);3-Chloro-2-methoxybenzoic acid; |
Article Data | 4 |
This chemical is called Benzoic acid,3-chloro-2-methoxy-, and its systematic name is 3-chloro-2-methoxybenzoic acid. With the molecular formula of C8H7ClO3. The CAS registry number of this chemical is 3260-93-3.
Other characteristics of the Benzoic acid,3-chloro-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.562 ; (14)Molar Refractivity: 44.75 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 57.75 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000337 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: It's harmful if swallowed, so you should be careful when you use it.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cccc(c1OC)C(=O)O
2.InChI: InChI=1/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)
3.InChIKey: NKVUYEGKHRDEBB-UHFFFAOYAE
4.Std. InChI: InChI=1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)
5.Std. InChIKey: NKVUYEGKHRDEBB-UHFFFAOYSA-N