5-chlorosalicylic acid

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Chlorobenzoic Acid
  • 2,5-Dichlorobenzoic acid
  • Salicylic acid
  • 2-Bromo-5-chlorobenzoic acid
  • 6-CHLORO-2-METHYL-4H-CHROMEN-4-ONE
  • Potassium hydrogen carbonate
  • 4-Chlorophenol
  • Carbon dioxide
  • 4-Chloro-1-(methoxymethoxy)benzene

DownStream

  • 5-chloro-2-hydroxy-3-(2-nitroethenyl)benzoic acid
  • (5E)-3-chloro-N-(4-chlorophenyl)-5-[(4-fluoroanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carboxamide
  • 5-chloro-N-(4-chlorophenyl)-2-hydroxy-3-[(E)-2-nitroethenyl]benzamide
  • 5-chloro-3-formyl-2-hydroxybenzoic acid
  • (5E)-3-chloro-5-[(4-fluoroanilino)methylidene]-N-(4-fluorophenyl)-6-oxocyclohexa-1,3-diene-1-carboxamide
  • 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]-N-phenylbenzamide
  • 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl chloride
  • 5-Chlorobenzofuran-3-one
  • Methyl 5-chloro-2-hydroxybenzoate
  • 3,5,6-Trichlorosalicylic acid

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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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...


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Related Compounds

  • 5-chlorosalicylic acid
  • 5-chlorosalicylic acid
  • 3-bromo-5-chlorosalicylic acid
  • 4-amino-5-chlorosalicylic acid
  • 5-chlorosalicylic acid chloride
  • 3-acetyl-5-chlorosalicylic acid
  • 1-(4-fluorobenzyl)-7-methyl-3-(1-pyrrolidinylcarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
  • 1-(3,5-difluorobenzyl)-7-methyl-3-(1-pyrrolidinylcarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
  • 1-(2-chlorobenzyl)-7-methyl-3-(1-pyrrolidinylcarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
  • N-(4-chlorobenzyl)-2-{[3-(2-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
  • N-tert-butyl-2-{[3-(2-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
  • 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
  • N-(2,3-dihydro-1H-inden-5-yl)-2-{[3-(2-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
  • 1-(3-chlorobenzyl)-7-methyl-3-(1-pyrrolidinylcarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
  • methyl 4-{[(4-chloro-1H-indol-1-yl)acetyl]amino}benzoate
  • 1-(4-chlorobenzyl)-7-methyl-3-(1-pyrrolidinylcarbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
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