CAS 321-14-2|5-chlorosalicylic acid
| Common Name | 5-chlorosalicylic acid | ||
|---|---|---|---|
| CAS Number | 321-14-2 | Molecular Weight | 172.566 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 320.5±27.0 °C at 760 mmHg |
| Molecular Formula | C7H5ClO3 | Melting Point | 171-172 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 147.6±23.7 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | 5-chlorosalicylic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 320.5±27.0 °C at 760 mmHg |
| Melting Point | 171-172 °C(lit.) |
| Molecular Formula | C7H5ClO3 |
| Molecular Weight | 172.566 |
| Flash Point | 147.6±23.7 °C |
| Exact Mass | 171.992722 |
| PSA | 57.53000 |
| LogP | 3.42 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.630 |
| InChIKey | NKBASRXWGAGQDP-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc(Cl)ccc1O |
| Water Solubility | 1 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 9,164,1973
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,792,1955 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 80 mg/kg/4D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from stomach
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 52,454,1980
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319 |
| Precautionary Statements | P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | VO2080000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29182990 |
Customs
| HS Code | 2918290000 |
|---|---|
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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| Structure-activity relationship of salicylic acid derivatives on inhibition of TNF-α dependent NFκB activity: Implication on anti-inflammatory effect of N-(5-chlorosalicyloyl)phenethylamine against experimental colitis. Eur. J. Med. Chem. 48 , 36-44, (2012) To develop a more potent NFκB inhibitor from salicylic acid which is known to inhibit activity of NFκB, a transcription factor regulating genes involved in immunity, inflammation and tumorigenesis, de... | |
| In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II. Bioorg. Med. Chem. 16 , 9101-5, (2008) The inhibition of two human cytosolic carbonic anhydrase (hCA, EC 4.2.1.1) isozymes, hCA I and II, with a series of salicylic acid derivatives was investigated by using the esterase method with 4-nitr... |
Synonyms
| 5-Chlorosalicyclic acid |
| 5-chloro-2-hydroxy-benzoic acid |
| Benzoic acid, 5-chloro-2-hydroxy- |
| 5-chlorosalicylic acid |
| EINECS 206-283-9 |
| Salicylic acid,5-chloro |
| 2-Hydroxy-5-chlorobenzoic acid |
| tert-butyl carbazate |
| 5-Chloro-2-hydroxybenzoic acid |
| MFCD00002457 |
| 5 CSA |
| Benzoic acid,5-chloro-2-hydroxy |
| 5-chloro-salicylic acid |
