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| CAS No.: | 3260-93-3 |
|---|---|
| Name: | 3-chloro-2-methoxybenzoic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7ClO3 |
| Molecular Weight: | 186.595 |
| Synonyms: | o-Anisicacid, 3-chloro- (6CI,7CI,8CI);3-Chloro-2-methoxybenzoic acid; |
| Density: | 1.352 g/cm3 |
| Melting Point: | 118-123 °C |
| Boiling Point: | 306.4 °C at 760 mmHg |
| Flash Point: | 139.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 46.53000 |
| LogP: | 2.04680 |
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- Total:31 Page 1 of 1 1
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Specification
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