Benzoic acid, 2-chloro-, sodium salt supplier

Name
2-CHLOROBENZOIC ACID, SODIUM SALT
EINECS 241-297-9
CAS No. 17264-74-3
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₇H₄ClNaO₂
Boiling Point 275.7 °C at 760 mmHg
Molecular Weight 178.55
Flash Point 120.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 2-chloro-, sodium salt (9CI);Benzoic acid, o-chloro-, sodium salt (8CI);Sodium 2-chlorobenzoate;Sodium o-chlorobenzoate;o-Chlorobenzoic acid sodiumsalt;
PSA 40.13000
LogP 0.70350

Synthetic route

: 824-78-2
4-nitrophenol sodium salt

: 118-91-2
ortho-chlorobenzoic acid

A: 100-02-7
4-nitro-phenol

B: 17264-74-3
sodium 2-chlorobenzoate

Conditions

Conditions	Yield
With 1-butyl-2,3-dimethylimidazolium bis-(trifluoromethanesulfonyl)amide In methanol at 24.84℃; Equilibrium constant; Reagent/catalyst;

...Expand

: 1271-19-8
bis(cyclopentadienyl)titanium dichloride

: 17264-74-3
sodium 2-chlorobenzoate

: (C5H5)2Ti(ClC6H4COO)2

Conditions

Conditions	Yield
In water; acetylacetone addn. of 2 mmol (C5H5)2TiCl2 to water containing acetylacetone; stirring for 2 h; dropwise addn. of an aq. soln. 5.2 mmol o-ClC6H4CO2Na; filtration;; dissolving in CH2Cl2 soln.; drying with anhydrous CaCl2 for 2 h; distillation of solvent in vac.; recrystallization from CH2Cl2-hexane; elem. anal.;;	93%
In benzene mixt. of complex and Na-salt of benzoic acid in dry benzene was stirredfor 3-8 h at 30°C; filtered, filtrate was evapd., recrystd. from boiling benzene; elem. anal.;	62%
In benzene a mixt. of (η-C5H5)2TiCl2 and Na salt of the substituted benzoic acid in anhydrous benzene stirred at 30°C for 4 h; orange soln. filtered, concd., crystn. (refrigerator), recrystd. (benzene);	48%
In not given

: 1282-40-2
dichlorobis(η5-methylcyclopentadienyl)titanium(IV)

: 17264-74-3
sodium 2-chlorobenzoate

: (C5H4CH3)2Ti(O2CC6H4Cl)2

Conditions

Conditions	Yield
In water; acetylacetone addn. of 2 mmol (C5H4CH3)2TiCl2 to water containing acetylacetone; stirring for 2 h; dropwise addn. of an aq. soln. 5.2 mmol o-ClC6H4CO2Na; filtration;; dissolving in CH2Cl2 soln.; drying with anhydrous CaCl2 for 2 h; distillation of solvent in vac.; recrystallization from CH2Cl2-hexane; elem. anal.;;	92%

: 1320275-72-6
C12H11BrO3

: 17264-74-3
sodium 2-chlorobenzoate

: 1450824-36-8
4-(2-(2-chlorophenylformyloxyl)ethoxy)-3-phenylfuran-2(5H)-one

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃;	86.5%

: 17264-74-3
sodium 2-chlorobenzoate

: 79-07-2
Chloroacetamide

: 2-(2-Chlorbenzoyloxy)acetamid

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 90 - 95℃;	85%

: 100-54-9
pyridine-3-carbonitrile

: cobalt(II) chloride hexahydrate

: 7732-18-5
water

: 17264-74-3
sodium 2-chlorobenzoate

: [Co(3-cyanopyridine)2(2-chlorobenzoate)2(H2O)2]

Conditions

Conditions	Yield
at 20℃; for 2h;	83%

...Expand

: 100-48-1
pyridine-4-carbonitrile

: copper(ll) sulfate pentahydrate

: 17264-74-3
sodium 2-chlorobenzoate

: tetra-μ-2-chlorobenzoatoκ8O:O’-bis[(4-cyanopyridine-κN)copper(II)]

Conditions

Conditions	Yield
In water for 168h;	82.01%

...Expand

: 74-96-4
ethyl bromide

: 17264-74-3
sodium 2-chlorobenzoate

: 7335-25-3
ethyl 2-chlorobenzoate

Conditions

Conditions	Yield
tetrabutyl phosphonium bromide at 150℃; under 20 Torr; g.l.p.t.c.;	78%

: 100-54-9
pyridine-3-carbonitrile

: 7732-18-5
water

: 17264-74-3
sodium 2-chlorobenzoate

: 7646-85-7
zinc(II) chloride

: [Zn(3-cyanopyridine)2(2-chlorobenzoate)2(H2O)2]

Conditions

Conditions	Yield
at 20℃; for 2h;	78%

...Expand

: 100-54-9
pyridine-3-carbonitrile

: manganese(II) chloride tetrahydrate

: 7732-18-5
water

: 17264-74-3
sodium 2-chlorobenzoate

: [Mn(3-cyanopyridine)2(2-chlorobenzoate)2(H2O)2]

Conditions

Conditions	Yield
at 20℃; for 2h;	74%

...Expand

: 1291-32-3
zirconocene dichloride

: 17264-74-3
sodium 2-chlorobenzoate

: bis(η5-cyclopentadienyl)zirconium(IV)(o-ClC6H4COO)chloride

Conditions

Conditions	Yield
In benzene byproducts: NaCl; under N2; anhydrous sodium salt of acid, complex and benzene stirred for 10h at 30°C, pptn. of NaCl; filtered, concd. (reduced pressure), addn. of petroleum ether, recrystd. (benzene/petroleum ether), dried (vac.); elem. anal.;	73.2%

: oxovanadium(IV) sulfate

: 17264-74-3
sodium 2-chlorobenzoate

: oxovanadium(IV)(2-chlorobenzoate)2

Conditions

Conditions	Yield
In methanol; water dropwise addn. of ClC6H4COONa/H2O soln. to soln. VO(SO4) in MeOH/H2O (1:1) (stirring, hot plate), immediate pptn., stirred (1h); filtered, washed (MeOH/H2O=1:1), dried (vac., room temp., anh. silica gel), elem. anal.;	68%

: 128-44-9
saccharin sodium salt

: 17264-74-3
sodium 2-chlorobenzoate

: 223518-39-6
2-(1,1,3-trioxo-1,3-dihydro-1λ6-benzo[d]isothiazol-2-yl)-benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide for 3h; Heating;	66%

: 17264-74-3
sodium 2-chlorobenzoate

: 64310-72-1
1-(1H-imidazole-1-yl)-3-phenoxypropan-2-ol

: 2-chlorobenzoic acid 2-(imidazol-1-yl)-1-phenoxymethylethyl ester

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; triethylamine In N,N-dimethyl-formamide for 7h; Heating;	65%

: 17264-74-3
sodium 2-chlorobenzoate

: 1079-66-9
chloro-diphenylphosphine

: 17261-28-8
ortho-diphenylphosphinobenzoic acid

Conditions

Conditions	Yield
Stage #1: chloro-diphenylphosphine With sodium In tetrahydrofuran at 65 - 66℃; for 2h; Industry scale; Stage #2: sodium 2-chlorobenzoate In tetrahydrofuran at 25℃; for 10h; Industry scale; Stage #3: In tetrahydrofuran Product distribution / selectivity; Acidic conditions; Industry scale;	64.9%
Multi-step reaction with 2 steps 1.1: sodium / tetrahydrofuran / 25 - 66 °C 1.2: 10 h 2.1: sodium hydroxide; water View Scheme

: 17264-74-3
sodium 2-chlorobenzoate

: 107-30-2
chloromethyl methyl ether

: 2-Chlorbenzoesaeure-methoxymethylester

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide for 4h; Ambient temperature;	63%

: 67-56-1
methanol

: 19437-26-4
2,2'-dipyridyl ketone

: gadolinium(III) nitrate hexahydrate

: manganese (II) nitrate tetrahydrate

: 17264-74-3
sodium 2-chlorobenzoate

: C70H58Cl2Gd2Mn4N14O28*2CH4O

Conditions

Conditions	Yield
Stage #1: methanol; 2,2'-dipyridyl ketone; manganese (II) nitrate tetrahydrate; sodium 2-chlorobenzoate With pyridine for 0.25h; Stage #2: gadolinium(III) nitrate hexahydrate for 2h;	45%

...Expand

: 1182669-71-1
N-(2-methylbenzoyl)-8-aminoquinoline

: 17264-74-3
sodium 2-chlorobenzoate

: C23H17ClN2O

Conditions

Conditions	Yield
With nickel(II) acetate tetrahydrate; sodium carbonate; silver carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 110℃; for 24h; Inert atmosphere;	42%

: 10273-89-9
2-(2-methylphenyl)pyridine

: 17264-74-3
sodium 2-chlorobenzoate

: 1292847-91-6
3-methyl-2-(pyridin-2-yl)phenyl 2-chlorobenzoate

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In toluene at 130℃; for 24h;	36%

: 2941-62-0
6-amino-2-methylbenzothiazole

: 17264-74-3
sodium 2-chlorobenzoate

: 19950-27-7
2-(2-methyl-benzothiazol-6-ylamino)-benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In i-Amyl alcohol for 4h; Heating;

: 2398-37-0
3-methoxyphenyl bromide

: 17264-74-3
sodium 2-chlorobenzoate

: 62810-53-1
(2-Chloro-phenyl)-(3-hydroxy-phenyl)-methanone

Conditions

Conditions	Yield
(i) nBuLi, (ii) /BRN= 4033718/, (iii) (demethylation); Multistep reaction;

: 99-81-0
4-Nitrophenacyl bromide

: 17264-74-3
sodium 2-chlorobenzoate

: 2-(4-nitrophenyl)-2-oxoethyl 2-chlorobenzoate

Conditions

Conditions	Yield
In water; acetone at 35℃; Rate constant;

: 17264-74-3
sodium 2-chlorobenzoate

: 117571-38-7
C9H8O3(2-)*2Na(1+)

: 117570-83-9
2-[2-(Carboxymethyl)-5-methylphenoxy]benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In 1,4-dioxane Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 118537-92-1
C9H8O3(2-)*2Na(1+)

: 118537-80-7
2-(2-Carboxymethyl-3-methyl-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In 1,4-dioxane Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 40495-68-9
sodium 5-chloro-2-methylphenolate

: 107517-48-6
2-(5-chloro-2-methyl-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In 1,4-dioxane Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 118537-93-2
sodium 3-chloro-2-methylphenolate

: 43160-03-8
2-(3-Chloro-2-methyl-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In 1,4-dioxane Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 118537-91-0
Sodium; 2-allyl-4-chloro-phenolate

: 117571-27-4
2-(2-Allyl-4-chloro-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In various solvent(s) Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 118537-90-9
Sodium; 2-allyl-4-methoxy-phenolate

: 117571-26-3
2-(2-Allyl-4-methoxy-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With Tris(3,6-dioxaheptyl)amine; copper(l) chloride In various solvent(s) Heating;

: 17264-74-3
sodium 2-chlorobenzoate

: 17849-38-6
2-Chlorobenzyl alcohol

Conditions

Conditions	Yield
With borane In tetrahydrofuran for 10h; Ambient temperature;	100 % Chromat.

: 17264-74-3
sodium 2-chlorobenzoate

: 105-36-2
ethyl bromoacetate

: (2-chloro-benzoyloxy)-acetic acid ethyl ester

Conditions

Conditions	Yield
In water; acetone at 30 - 40℃; Rate constant;

: 17264-74-3
sodium 2-chlorobenzoate

: 70-11-1
α-bromoacetophenone

: 55153-25-8
2-(2-chlorobenzoyloxy)-1-phenylethanone

Conditions

Conditions	Yield
In water; acetone at 35℃; Rate constant;
sodium dodecyl-sulfate In water; acetone at 35℃; Rate constant; no or varying amounts of NaLS;

Benzoic acid, 2-chloro-, sodium salt Specification

The Benzoic acid, 2-chloro-, sodium salt is an organic compound with the formula C₇H₄ClNaO₂. The IUPAC name of this chemical is Sodium 2-chlorobenzoate. With the CAS registry number 17264-74-3, it is also named as 2-Chlorobenzoic acid sodium salt. Besides, its molecular weight is 178.55.

Physical properties about Benzoic acid, 2-chloro-, sodium salt are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): -0.39; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.13; (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: 120.5 °C; (13)Enthalpy of Vaporization: 54.31 kJ/mol; (14)Boiling Point: 275.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00242 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5ClO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(2)InChIKey: OJLSABVGUWNJKD-REWHXWOFAQ
(3)Std. InChI: InChI=1S/C7H5ClO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(4)Std. InChIKey: OJLSABVGUWNJKD-UHFFFAOYSA-M

Product Name

2-CHLOROBENZOIC ACID, SODIUM SALT

Synthetic route

Benzoic acid, 2-chloro-, sodium salt Specification

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