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Home> Encyclopedia > Hot Product Listed S   > Sodium salicylate
54-21-7 structure

Sodium salicylate

CAS No.:54-21-7
EINECS(EC#): 200-198-0
Molecular Weight:160.10257
Molecular Formula:C7H5NaO3 (isomer)
Properties
Appearance
white crystals
Melting Point
200℃
Boiling Point
336.3°Cat760mmHg
Refractive Index
1.435
Flash Point
144.5°C
Solubility
1000 g/L (20 &de
Stability
Stable. Incompatible with mineral acids, metallic salts, iodine. May be light-sensitive.
HS Code
29182100
Storage temp
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22
Safety Statements
26-36
Sensitive
Light Sensitive
Transport
25kgs
Specification

The Sodium salicylate, with the?CAS registry number 54-21-7, is a kind of white powder. This is easily soluble in water(1:0.8,25℃) and glycerol while insoluble in ether, chloroform and? benzene. Being stable chemically while incompatible with mineral acids and metallic salts, this chemical is light-sensitive.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53; (13)Flash Point: 144.5 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 336.3 °C at 760 mmHg; (16)Vapour Pressure: 4.45E-05 mmHg at 25°C; (17)Exact Mass: 160.013639; (18)MonoIsotopic Mass: 160.013639; (19)Topological Polar Surface Area: 60.4; (20)Heavy Atom Count: 11; (21)Complexity: 138.

The production method of this chemical: Add salicylic acid and sodium bicarbonate into the distilled water with the temperature of 60℃, and then add EDTA and sodium hydrosulfite with defined amount; Next heat it to 85℃ and react for about half an hour; Lastly filter the qualified reaction liquid into the fluidized bed and then dry to 85℃ to get this product.

As to its usage, it is widely applied in many ways. It could be used in organic synthetic materials, antiseptic, the reagent testing the gastric acid in the free agents; It could also be used as the drug with the function of being antifebrile and anti-rheumatic. In addition, it is also a potential replacement for aspirin for people sensitive to it.

When you are dealing with this chemical, you should be much more cautious. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health and it may have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
(2)InChI: InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
(3)InChIKey: ABBQHOQBGMUPJH-UHFFFAOYSA-M?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo multiple routes 2970mg/kg/13D (2970mg/kg) BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: NAUSEA OR VOMITING
American Journal of Diseases of Children. Vol. 69, Pg. 37, 1945.
dog LD50 intravenous 562mg/kg (562mg/kg) BEHAVIORAL: ANALGESIA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964.
?
dog LDLo intraperitoneal 990mg/kg (990mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog LDLo oral 450mg/kg (450mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
frog LDLo subcutaneous 250mg/kg (250mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig LDLo intraperitoneal 900mg/kg (900mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig LDLo subcutaneous 800mg/kg (800mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
human LDLo oral 700mg/kg (700mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
New England Journal of Medicine. Vol. 232, Pg. 617, 1945.
mouse LD50 intramuscular 760mg/kg (760mg/kg) ? Acta Paediatrica Scandinavica. Vol. 59, Pg. 517, 1970.
?
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) ? Strahlentherapie. Vol. 127, Pg. 245, 1965.
?
mouse LD50 intravenous 500mg/kg (500mg/kg) ? British Patent Document. Vol. #1009195,
mouse LD50 oral 540mg/kg (540mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 572, 1955.
?
mouse LD50 subcutaneous 550mg/kg (550mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.
?
rabbit LD50 intravenous 415mg/kg (415mg/kg) ? Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rabbit LD50 oral 1700mg/kg (1700mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 205, 1947.
rat LD50 intraperitoneal 542mg/kg (542mg/kg) ? Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rat LD50 oral 930mg/kg (930mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
women TDLo unreported 1400mg/kg (1400mg/kg) BEHAVIORAL: TOXIC PSYCHOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
JAMA, Journal of the American Medical Association. Vol. 126, Pg. 806, 1944.

Report

The Sodium salicylate, with the?CAS registry number 54-21-7, is a kind of white powder. This is easily soluble in water(1:0.8,25℃) and glycerol while insoluble in ether, chloroform and? benzene. Being stable chemically while incompatible with mineral acids and metallic salts, this chemical is light-sensitive.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53; (13)Flash Point: 144.5 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 336.3 °C at 760 mmHg; (16)Vapour Pressure: 4.45E-05 mmHg at 25°C; (17)Exact Mass: 160.013639; (18)MonoIsotopic Mass: 160.013639; (19)Topological Polar Surface Area: 60.4; (20)Heavy Atom Count: 11; (21)Complexity: 138.

The production method of this chemical: Add salicylic acid and sodium bicarbonate into the distilled water with the temperature of 60℃, and then add EDTA and sodium hydrosulfite with defined amount; Next heat it to 85℃ and react for about half an hour; Lastly filter the qualified reaction liquid into the fluidized bed and then dry to 85℃ to get this product.

As to its usage, it is widely applied in many ways. It could be used in organic synthetic materials, antiseptic, the reagent testing the gastric acid in the free agents; It could also be used as the drug with the function of being antifebrile and anti-rheumatic. In addition, it is also a potential replacement for aspirin for people sensitive to it.

When you are dealing with this chemical, you should be much more cautious. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health and it may have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
(2)InChI: InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
(3)InChIKey: ABBQHOQBGMUPJH-UHFFFAOYSA-M?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo multiple routes 2970mg/kg/13D (2970mg/kg) BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: NAUSEA OR VOMITING
American Journal of Diseases of Children. Vol. 69, Pg. 37, 1945.
dog LD50 intravenous 562mg/kg (562mg/kg) BEHAVIORAL: ANALGESIA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964.
?
dog LDLo intraperitoneal 990mg/kg (990mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog LDLo oral 450mg/kg (450mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
frog LDLo subcutaneous 250mg/kg (250mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig LDLo intraperitoneal 900mg/kg (900mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig LDLo subcutaneous 800mg/kg (800mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
human LDLo oral 700mg/kg (700mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
New England Journal of Medicine. Vol. 232, Pg. 617, 1945.
mouse LD50 intramuscular 760mg/kg (760mg/kg) ? Acta Paediatrica Scandinavica. Vol. 59, Pg. 517, 1970.
?
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) ? Strahlentherapie. Vol. 127, Pg. 245, 1965.
?
mouse LD50 intravenous 500mg/kg (500mg/kg) ? British Patent Document. Vol. #1009195,
mouse LD50 oral 540mg/kg (540mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 572, 1955.
?
mouse LD50 subcutaneous 550mg/kg (550mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.
?
rabbit LD50 intravenous 415mg/kg (415mg/kg) ? Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rabbit LD50 oral 1700mg/kg (1700mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 205, 1947.
rat LD50 intraperitoneal 542mg/kg (542mg/kg) ? Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rat LD50 oral 930mg/kg (930mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
women TDLo unreported 1400mg/kg (1400mg/kg) BEHAVIORAL: TOXIC PSYCHOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
JAMA, Journal of the American Medical Association. Vol. 126, Pg. 806, 1944.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:160.10257g/mol
  • Molecular Formula:C7H5NaO3
  • Exact Mass:160.013639
  • Monoisotopic Mass:160.013639
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:60.4
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-87396430
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