5-chlorosalicylic acid
Names
[ CAS No. ]:
321-14-2
[ Name ]:
5-chlorosalicylic acid
[Synonym ]:
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
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
[ Water Solubility ]:
1 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VO2080000
- CHEMICAL NAME :
- Salicylic acid, 5-chloro-
- CAS REGISTRY NUMBER :
- 321-14-2
- BEILSTEIN REFERENCE NO. :
- 2046665
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H5-Cl-O3
- MOLECULAR WEIGHT :
- 172.57
- WISWESSER LINE NOTATION :
- QVR BQ EG
HEALTH HAZARD DATA
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
J. Med. Chem. 48 , 2469-79, (2005)
A novel class of 2-(R)-phenylpropionamides has been recently reported to inhibit in vitro and in vivo interleukin-8 (CXCL8)-induced biological activities. These CXCL8 inhibitors are derivatives of phe...
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...