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CAS No.: | 17264-88-9 |
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Name: | SODIUM 3-CHLOROBENZOATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4ClNaO2 |
Molecular Weight: | 178.55 |
Synonyms: | Benzoicacid, 3-chloro-, sodium salt (9CI);Benzoic acid, m-chloro-, sodium salt (8CI);Sodium 3-chlorobenzoate;Sodiumm-chlorobenzoate; |
Boiling Point: | 281.3 °C at 760 mmHg |
Flash Point: | 123.9 °C |
PSA: | 40.13000 |
LogP: | 0.70350 |
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The 3-Chlorobenzoic acid sodium salt is an organic compound with the formula C7H4ClNaO2. The systematic name of this chemical is Sodium 3-chlorobenzoate. With the CAS registry number 17264-88-9, it is also named as Benzoic acid, 3-chloro-, sodium salt. Besides, its molecular weight is 178.5496.
Physical properties about 3-Chlorobenzoic acid sodium salt are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 2.05; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.59; (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: 37.3 Å2; (12)Flash Point: 123.9 °C; (13)Enthalpy of Vaporization: 54.93 kJ/mol; (14)Boiling Point: 281.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5ClO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(2)InChIKey: FUEXXBRYIMMSRF-REWHXWOFAK
(3)Std. InChI: InChI=1S/C7H5ClO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(4)Std. InChIKey: FUEXXBRYIMMSRF-UHFFFAOYSA-M