Product Name

  • Name

    Ammonium benzoate

  • EINECS 217-468-9
  • CAS No. 1863-63-4
  • Article Data5
  • CAS DataBase
  • Density 1.197g/cm3
  • Solubility soluble in water, alcohol, glycerol
  • Melting Point 192-198 °C (dec.)(lit.)
  • Formula C7H9NO2
  • Boiling Point 249.3 °C at 760 mmHg
  • Molecular Weight 139.154
  • Flash Point 111.4 °C
  • Transport Information
  • Appearance White crystalline powder
  • Safety 26-36
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 1863-63-4 (Ammonium benzoate)
  • Hazard Symbols HarmfulXn,IrritantXi
  • Synonyms Ammoniumbenzoate (7CI);Benzoic acid, ammonium salt (8CI,9CI);Vulnoc AB;Vulnoc ABS;Benzoic acid ammonium salt;
  • PSA 40.54000
  • LogP 1.70870

Synthetic route

1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose
22415-91-4

1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose

A

1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol
15356-13-5

1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol

B

ammonium benzoate
1863-63-4

ammonium benzoate

C

N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine
116143-85-2

N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine

D

N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine
116143-92-1

N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine

Conditions
ConditionsYield
With ammonia In 1,4-dioxane; chloroform at -60℃; for 100h; Further byproducts given;A 29%
B 17.2 mg
C 11.9%
D 9.6%
ammonium benzoate
1863-63-4

ammonium benzoate

zirconium(IV)

zirconium(IV)

zirconium benzoate

zirconium benzoate

Conditions
ConditionsYield
With ammonium acetate; ammonia In sulfuric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=2.0-2.5, even in presence of thioglycolic acid;;100%
With ammonium acetate; ammonia In nitric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;;100%
With ammonium acetate; ammonia In hydrogenchloride addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;;100%
ammonium benzoate
1863-63-4

ammonium benzoate

(1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide

(1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide

Benzoic acid (1aS,2R,3S,3aR,6aS,6bR)-3-hydroxy-5,5-dimethyl-1-(toluene-4-sulfonyl)-hexahydro-4,6-dioxa-1-aza-cyclopropa[e]inden-2-yl ester

Benzoic acid (1aS,2R,3S,3aR,6aS,6bR)-3-hydroxy-5,5-dimethyl-1-(toluene-4-sulfonyl)-hexahydro-4,6-dioxa-1-aza-cyclopropa[e]inden-2-yl ester

Conditions
ConditionsYield
Stage #1: ammonium benzoate; (1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide In N,N-dimethyl-formamide
Stage #2: With sulfuric acid In tetrahydrofuran; water Further stages.;
90%
ammonium benzoate
1863-63-4

ammonium benzoate

silver nitrate

silver nitrate

silver benzoate
532-31-0

silver benzoate

Conditions
ConditionsYield
In water dropwise addn. of a satd. aq. soln. of AgNO3 to an aq. soln. of ammonium benzoate; pptn., cooling in ice, filtration, washing (cold water, cold ethanol, ether), drying by suction;90%
1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose
22415-91-4

1,2,3,4,6-penta-O-benzoyl-α-D-glucopyranose

A

1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol
15356-13-5

1,1-bis(benzamido)-6-O-benzoyl-1-deoxy-D-glucitol

B

ammonium benzoate
1863-63-4

ammonium benzoate

C

N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine
116143-85-2

N-benzoyl-6-O-benzoyl-α-D-glucofuranosylamine

D

N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine
116143-92-1

N-benzoyl-3,6-di-O-benzoyl-α-D-glucofuranosylamine

Conditions
ConditionsYield
With ammonia In 1,4-dioxane; chloroform at -60℃; for 100h; Further byproducts given;A 29%
B 17.2 mg
C 11.9%
D 9.6%
ammonium benzoate
1863-63-4

ammonium benzoate

zirconium(IV)

zirconium(IV)

zirconium benzoate

zirconium benzoate

Conditions
ConditionsYield
With ammonium acetate; ammonia In sulfuric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=2.0-2.5, even in presence of thioglycolic acid;;100%
With ammonium acetate; ammonia In nitric acid addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;;100%
With ammonium acetate; ammonia In hydrogenchloride addition of NH4 benzoate at boiling heat, precipitation with NH3 solution at pH=1.0-1.5, even in presence of thioglycolic acid;;100%
ammonium benzoate
1863-63-4

ammonium benzoate

(1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide

(1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide

Benzoic acid (1aS,2R,3S,3aR,6aS,6bR)-3-hydroxy-5,5-dimethyl-1-(toluene-4-sulfonyl)-hexahydro-4,6-dioxa-1-aza-cyclopropa[e]inden-2-yl ester

Benzoic acid (1aS,2R,3S,3aR,6aS,6bR)-3-hydroxy-5,5-dimethyl-1-(toluene-4-sulfonyl)-hexahydro-4,6-dioxa-1-aza-cyclopropa[e]inden-2-yl ester

Conditions
ConditionsYield
Stage #1: ammonium benzoate; (1aR,1bS,4aS,4bR,7aS,7bS)-3,3-Dimethyl-1-(toluene-4-sulfonyl)-hexahydro-2,4,5,7-tetraoxa-6-thia-1-aza-cyclopropa[e]-as-indacene 6,6-dioxide In N,N-dimethyl-formamide
Stage #2: With sulfuric acid In tetrahydrofuran; water Further stages.;
90%
ammonium benzoate
1863-63-4

ammonium benzoate

silver nitrate

silver nitrate

silver benzoate
532-31-0

silver benzoate

Conditions
ConditionsYield
In water dropwise addn. of a satd. aq. soln. of AgNO3 to an aq. soln. of ammonium benzoate; pptn., cooling in ice, filtration, washing (cold water, cold ethanol, ether), drying by suction;90%
ammonium benzoate
1863-63-4

ammonium benzoate

(1S*,2R*,3aR*,8S*,11R*,11aR*,12S*)-12-(tert-butyldimethylsiloxy)-11,11a-epoxydodecahydro-2-methyl-3a,8-methano-3aH-cyclopentacyclodecen-1-ol

(1S*,2R*,3aR*,8S*,11R*,11aR*,12S*)-12-(tert-butyldimethylsiloxy)-11,11a-epoxydodecahydro-2-methyl-3a,8-methano-3aH-cyclopentacyclodecen-1-ol

Benzoic acid (1R,3R,4S,5R,6S,9S,14S)-14-(tert-butyl-dimethyl-silanyloxy)-4,5-dihydroxy-3-methyl-tricyclo[7.4.1.01,5]tetradec-6-yl ester

Benzoic acid (1R,3R,4S,5R,6S,9S,14S)-14-(tert-butyl-dimethyl-silanyloxy)-4,5-dihydroxy-3-methyl-tricyclo[7.4.1.01,5]tetradec-6-yl ester

Conditions
ConditionsYield
With titanium(IV) isopropylate In tetrahydrofuran for 28h;80%
nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

water
7732-18-5

water

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(pyridin-4-yl)ethene
13362-78-2

trans-1,2-bis(pyridin-4-yl)ethene

acetone
67-64-1

acetone

[Ni(II)(benzoate)2(μ-trans-1,2-bis(4-pyridyl)ethene)1.5(H2O)]*acetone

[Ni(II)(benzoate)2(μ-trans-1,2-bis(4-pyridyl)ethene)1.5(H2O)]*acetone

Conditions
ConditionsYield
In water; acetone aq. soln. of NH4C6H5COO and Ni salt carefully layered by acetone soln. of C12H10N2; crystd. for a few d; elem. anal., detd. by TGA, powder XRD;77.2%
2,5-dimethyl-pyrazine
123-32-0

2,5-dimethyl-pyrazine

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn2(benzoate)4(2,5-dimethylpyrazine)]

[Zn2(benzoate)4(2,5-dimethylpyrazine)]

Conditions
ConditionsYield
In water; acetone aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in acetone for 1 mo; elem. anal.;72.8%
copper(II) nitrate monohydrate

copper(II) nitrate monohydrate

dichloromethane
75-09-2

dichloromethane

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(pyridin-4-yl)ethene
13362-78-2

trans-1,2-bis(pyridin-4-yl)ethene

[dicopper(II)(benzoate)4(μ-trans-1,2-bis(4-pyridyl)ethene)]*2CH2Cl2

[dicopper(II)(benzoate)4(μ-trans-1,2-bis(4-pyridyl)ethene)]*2CH2Cl2

Conditions
ConditionsYield
In methanol; dichloromethane MeOH soln. of NH4C6H5COO and Cu salt carefully layered by CH2Cl2 soln. of C12H10N2; crystd. for a few d; elem. anal., detd. by TGA, powder XRD;72.4%
ammonium benzoate
1863-63-4

ammonium benzoate

tert-butyl-(2,2-dioxo-2λ6-[1,3,2]-dioxathiolan-4-ylmethoxy)dimethylsilane
121564-13-4

tert-butyl-(2,2-dioxo-2λ6-[1,3,2]-dioxathiolan-4-ylmethoxy)dimethylsilane

[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] benzoate
121564-15-6

[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] benzoate

Conditions
ConditionsYield
With sulfuric acid In dichloromethane 1) 60 deg C, 12 h, 2) 10 min;71%
2-(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
897922-06-4

2-(bromomethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

ammonium benzoate
1863-63-4

ammonium benzoate

(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methyl benzoate
897922-08-6

(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methyl benzoate

Conditions
ConditionsYield
In dimethyl sulfoxide71%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ethanol
64-17-5

ethanol

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*C2H5OH

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*C2H5OH

Conditions
ConditionsYield
In ethanol; water Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inEtOH, stored for 10 d; elem. anal.;66.1%
1,2-bis(4'-pyridyl)ethane
4916-57-8

1,2-bis(4'-pyridyl)ethane

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn2(O2CPh)4(1,2-bis(4-pyridyl)ethane)2]
1139845-05-8

[Zn2(O2CPh)4(1,2-bis(4-pyridyl)ethane)2]

Conditions
ConditionsYield
In methanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; MeOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; crystd. after 5 d; elem. anal.;63.4%
In ethanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; EtOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; elem. anal.;
cobalt(II) nitrate hexahydrate

cobalt(II) nitrate hexahydrate

1,2-bis(4'-pyridyl)ethane
4916-57-8

1,2-bis(4'-pyridyl)ethane

water
7732-18-5

water

ammonium benzoate
1863-63-4

ammonium benzoate

[Co(PhCO2)2(H2O)(1,2-bis(4-pyridyl)ethane)1.5]

[Co(PhCO2)2(H2O)(1,2-bis(4-pyridyl)ethane)1.5]

Conditions
ConditionsYield
In ethanol; water aq. soln. of Co compd. and ligand layered with EtOH soln. of bpa (1:2:2 molar ratio); crystd. on storage for 1 wk, elem. anal.;59.3%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

acetonitrile
75-05-8

acetonitrile

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn2(μ-benzoate)4(μ-1,2-bis(4-pyridyl)ethene)*2CH3CN

Zn2(μ-benzoate)4(μ-1,2-bis(4-pyridyl)ethene)*2CH3CN

Conditions
ConditionsYield
In water; acetonitrile Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inCH3CN, stored for 4 d; elem. anal.;54.4%
2,3-diethynylquinoxaline
91-19-0

2,3-diethynylquinoxaline

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn2(benzoate)4(quinoxaline)2]
1101192-03-3

[Zn2(benzoate)4(quinoxaline)2]

Conditions
ConditionsYield
In methanol; water aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in MeOH for 1 mo; elem. anal.;50.5%
manganese(II) nitrate

manganese(II) nitrate

bis(pyridin-3-ylmethyl)amine
1656-94-6

bis(pyridin-3-ylmethyl)amine

water
7732-18-5

water

ammonium benzoate
1863-63-4

ammonium benzoate

[Mn2(O2CPh)4(H2O)2(3,3'-dipicoylamine)2]*2H2O

[Mn2(O2CPh)4(H2O)2(3,3'-dipicoylamine)2]*2H2O

Conditions
ConditionsYield
In methanol; water Mn(NO3)2 (0.125 mmol), C6H5COONH4 (0.25 mmol) and H2O (4 mmol) placed inscrew vial; soln. of 3,3'-dipicoylamine (0.25 mmol) in MeOH (4 ml) adde d; evapd. (2 wk); elem. anal.;49.1%
manganese(II) nitrate * 2 H2O

manganese(II) nitrate * 2 H2O

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(pyridin-4-yl)ethene
13362-78-2

trans-1,2-bis(pyridin-4-yl)ethene

poly[bis(μ2-1,2-bis(4-pyridyl)ethylene-N,N')tetra(μ2-benzoato-O,O')dimanganese(II)] - trans-1,2-bis(4-pyridyl)ethylene (1/1)

poly[bis(μ2-1,2-bis(4-pyridyl)ethylene-N,N')tetra(μ2-benzoato-O,O')dimanganese(II)] - trans-1,2-bis(4-pyridyl)ethylene (1/1)

Conditions
ConditionsYield
In methanol; water aq. soln. of NH4C6H5COO and Mn salt carefully layered by MeOH soln. of C12H10N2; crystd. for 1 mo; elem. anal., detd. by TGA, powder XRD;43.2%
methanol
67-56-1

methanol

1,2-bis(4'-pyridyl)ethane
4916-57-8

1,2-bis(4'-pyridyl)ethane

manganese(II) nitrate monohydrate

manganese(II) nitrate monohydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Mn(PhCO2)2(MeOH)2(1,2-bis(4-pyridyl)ethane)]

[Mn(PhCO2)2(MeOH)2(1,2-bis(4-pyridyl)ethane)]

Conditions
ConditionsYield
In water aq. soln. of Mn compd. and ligand layered with acetone soln. of bpa (1:2:2 molar ratio); crystd. on storage for 2 mo, elem. anal.;42.6%
2,3-dimethylpyrazine
5910-89-4

2,3-dimethylpyrazine

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn3(benzoate)6(2,3-dimethylpyrazine)2]
1101192-04-4

[Zn3(benzoate)6(2,3-dimethylpyrazine)2]

Conditions
ConditionsYield
In water; acetone aq. soln. of Zn salt and benzoate was carefully layered with soln. of ligand in acetone for 1 mo; elem. anal.;42.2%
4,4'-bipyridine
553-26-4

4,4'-bipyridine

cobalt(II) nitrate hexahydrate

cobalt(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

Co2(μ2-4,4'-bipyridine)2(μ2-benzoate)2(benzoate)2

Co2(μ2-4,4'-bipyridine)2(μ2-benzoate)2(benzoate)2

Conditions
ConditionsYield
In ethanol; water Co(NO3)2, C6H5COONH4 dissolved in H2O; layered with EtOH soln. of 4,4'-bipyridine; crystd. by slow evapn. after 2 mo; elem. anal.;42.1%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn2(benzoate)4(μ-1,2-bis(4-pyridyl)ethene)(1,2-bis(4-pyridyl)ethene)2*4H2O

Zn2(benzoate)4(μ-1,2-bis(4-pyridyl)ethene)(1,2-bis(4-pyridyl)ethene)2*4H2O

Conditions
ConditionsYield
In methanol; water Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inMeOH, stored for 10 d; elem. anal.;39.7%
1,2-bis(4'-pyridyl)ethane
4916-57-8

1,2-bis(4'-pyridyl)ethane

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn3(O2CPh)6(1,2-bis(4-pyridyl)ethane)]n

[Zn3(O2CPh)6(1,2-bis(4-pyridyl)ethane)]n

Conditions
ConditionsYield
In methanol; dichloromethane Zn(NO3)2 and C6H5COONH4 dissolved in MeOH; CH2Cl2 soln. of 1,2-bis(4-pyridyl)ethane layered onto; crystd. after 5 d; elem. anal.;38.9%
In ethanol; water Zn(NO3)2 and C6H5COONH4 dissolved in H2O; EtOH soln. of 1,2-bis(4-pyridyl)ethane layered onto; elem. anal.;
di(pyridin-2-yl)amine
1202-34-2

di(pyridin-2-yl)amine

cadmium(II) nitrate tetrhydrate

cadmium(II) nitrate tetrhydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Cd(2,2'-dipyridylamine)(benzoate)2]
1217263-75-6

[Cd(2,2'-dipyridylamine)(benzoate)2]

Conditions
ConditionsYield
In water; acetone aq. Cd(NO3)2, ammonium benzoate layered with acetone/EtOH/MeOH soln. of 2,2'-dipyridylamine; crystd. in 3 wk; elem. anal.;34.7%
4,4'-bipyridine
553-26-4

4,4'-bipyridine

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Zn3(PhCO2)4(μ-OH)2(4,4'-bipyridine)2]n

[Zn3(PhCO2)4(μ-OH)2(4,4'-bipyridine)2]n

Conditions
ConditionsYield
In water; acetone Zn(NO3)2, C6H5COONH4 dissolved in H2O; layered with acetone soln. of 4,4'-bipyridine; crystd. by slow evapn. after 2 mo; elem. anal.;33.6%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

acetone
67-64-1

acetone

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*acetone*0.5H2O

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*acetone*0.5H2O

Conditions
ConditionsYield
In methanol; water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, MeOH and EtOH (2/2/2), stored for 10 d; elem. anal.;33.3%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

acetone
67-64-1

acetone

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn2(μ-benzoate)4(μ-1,2-bis(4-pyridyl)ethene)*2(CH3)2CO

Zn2(μ-benzoate)4(μ-1,2-bis(4-pyridyl)ethene)*2(CH3)2CO

Conditions
ConditionsYield
In water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, stored for 4 d; elem. anal.;32.6%
zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

trans-1,2-bis(4-pyridyl)ethylene
1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*0.5H2O

Zn(benzoate)2(μ-1,2-bis(4-pyridyl)ethene)*0.5H2O

Conditions
ConditionsYield
In methanol; water; acetone Zn-compd. and C6H5COONH4 dissolved in H2O, layered with ethene-compd. inacetone, MeOH and EtOH (2/2/2), stored for month; elem. anal.;32.6%
benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester
4620-46-6

benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester

ammonium benzoate
1863-63-4

ammonium benzoate

Ethyl 4-methyl-2-phenyloxazole-5-carboxylate
4620-52-4

Ethyl 4-methyl-2-phenyloxazole-5-carboxylate

Conditions
ConditionsYield
In acetic acid for 3h; Heating;32%
4,4'-bipyridine
553-26-4

4,4'-bipyridine

nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

ammonium benzoate
1863-63-4

ammonium benzoate

[Ni(PhCO2)2(H2O)2(4,4'-bipyridine)]n

[Ni(PhCO2)2(H2O)2(4,4'-bipyridine)]n

Conditions
ConditionsYield
In ethanol; water Ni(NO3)2, C6H5COONH4 dissolved in H2O; layered with EtOH/MeOH/acetone soln. of 4,4'-bipyridine; crystd. by slow evapn. after a mo; elem. anal.;31%
bis(4-pyridyl) disulfide
2645-22-9

bis(4-pyridyl) disulfide

manganese(II) nitrate

manganese(II) nitrate

water
7732-18-5

water

ammonium benzoate
1863-63-4

ammonium benzoate

[Mn(O2CPh)2(4,4'-dithiopyridine)2*H2O*0.5PhCO2H]

[Mn(O2CPh)2(4,4'-dithiopyridine)2*H2O*0.5PhCO2H]

Conditions
ConditionsYield
In ethanol; water Mn(NO3)2 (0.125 mmol), C6H5COONH4 (0.25 mmol) and H2O (4 mmol) placed inscrew vial; soln. of 4,4'-dithiopyridine (0.25 mmol) in EtOH (4 ml) add ed; evapd. (2 wk); elem. anal.;30.5%
1,2-bis(4'-pyridyl)ethane
4916-57-8

1,2-bis(4'-pyridyl)ethane

nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

water
7732-18-5

water

ammonium benzoate
1863-63-4

ammonium benzoate

[Ni(PhCO2)2(H2O)(1,2-bis(4-pyridyl)ethane)1.5]

[Ni(PhCO2)2(H2O)(1,2-bis(4-pyridyl)ethane)1.5]

Conditions
ConditionsYield
In methanol; ethanol; water aq. soln. of Ni compd. and ligand layered with acetone/MeOH/EtOH (1/1/1)soln. of bpa (1:2:2 molar ratio); crystd. on storage for 2 d, elem. anal.;30%

Ammonium benzoate Consensus Reports

Reported in EPA TSCA Inventory.

Ammonium benzoate Specification

The Ammonium benzoate, with the CAS registry number 1863-63-4, is also known as Benzoic acid ammonium salt. It is a white solid, is the ammonium salt of benzoic acid. It belongs to the product categories of Building Blocks; Carbonyl Compounds; Carboxylic Acid Salts; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 217-468-9. This chemical's molecular formula is C7H9NO2 and molecular weight is 139.15. What's more, its systematic name is Ammonium benzoate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. This chemical is commonly used as industrial preservative and analytical reagent for various elements.

Physical properties of Ammonium benzoate are: (1)ACD/LogP: 1.895; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.43; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 111.4 °C; (14)Enthalpy of Vaporization: 51.4 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0122 mmHg at 25°C.

Preparation: this chemical can be prepared by benzoic acid and ammonia water by heating.

Uses of Ammonium benzoate: it can be used to produce benzoic acid 5-benzyloxymethyl-4-hydroxy-5-methoxy-tetrahydro-furan-3-yl ester at the temperature of 80 °C. It will need solvent dimethylformamide with the reaction time of 24 hours. The yield is about 70%.

Ammonium benzoate can be used to produce benzoic acid 5-benzyloxymethyl-4-hydroxy-5-methoxy-tetrahydro-furan-3-yl ester at the temperature of 80 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)c1ccccc1.[NH4+]
(2)Std. InChI: InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
(3)Std. InChIKey: VWSRWGFGAAKTQG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 235mg/kg (235mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986.
rabbit LDLo intravenous 400mg/kg (400mg/kg) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 81, 1932.
rat LD50 oral 825mg/kg (825mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986.

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