Diclofenac

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Names

[ CAS No. ]:
15307-86-5

[ Name ]:
Diclofenac

[Synonym ]:
2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-
2-(2-((2,6-dichlorophenyl)amino)phenyl)acetic acid
Acetic acid, (o-(2,6-dichloroanilino)phenyl)-
2-[[2,6-Dichlorophenyl]amino]benzeneacetic acid
MFCD00451393
2-((2,6-dichlorophenyl)amino)benzeneacetic acid
Diclofenac acid
2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid
N-(2,6-Dichlorophenyl)-o-aminophenylacetic Acid
Zorvolex
EINECS 239-348-5
{2-[(2,6-Dichlorophenyl)amino]phenyl}acetic acid
[2-(2,6-dichloroanilino)phenyl]acetic acid
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-
Motifene
(o-(2,6-Dichloroanilino)phenyl)acetic Acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
412.0±45.0 °C at 760 mmHg

[ Melting Point ]:
156-158ºC

[ Molecular Formula ]:
C14H11Cl2NO2

[ Molecular Weight ]:
296.149

[ Flash Point ]:
203.0±28.7 °C

[ Exact Mass ]:
295.016693

[ PSA ]:
49.33000

[ LogP ]:
4.06

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.662

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG6310000
CHEMICAL NAME :
Acetic acid, (o-(2,6-dichloroanilino)phenyl)-
CAS REGISTRY NUMBER :
15307-86-5
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H11-Cl2-N-O2
MOLECULAR WEIGHT :
296.16
WISWESSER LINE NOTATION :
QV1R BMR BG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
1070 ug/kg
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 117,1058,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
62500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,1398,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 37,148,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
345 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 43,44,1993 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
4 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990

Safety Information

[ Hazard Codes ]:
Xi

[ RIDADR ]:
3249

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • 2-[(2,6-Dichlorophenyl)amino]-N,N-dimethylbenzeneacetamide
  • Diclofenac sodium
  • 2-[(2,6-dichlorophenyl)-N-benzylamino]-phenylacetic acid
  • Water
  • 1,2-Dichlorobenzene
  • 2,6-Dichloroaniline
  • 2-[(2,6-dichlorophenyl)amino]-α-(methylthio)phenylacetic acid

DownStream

  • 2-[2-(2,6-dichloroanilino)phenyl]ethanol
  • 5-Hydroxydiclofenac
  • 4'-Hydroxy diclofenac
  • Diclofenac methyl ester
  • 1-(2,6-Dichlorophenyl)-2-indolinone
  • pyridin-3-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate

Customs

[ HS Code ]: 2922499990

[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%


Related Compounds

  • Diclofenac D4
  • Diclofenac-13C6
  • Diclofenac Amide
  • Diclofenac sodium
  • Diclofenac calcium
  • Diclofenac Alcohol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-[(Triphenylmethyl)amino]-4-thiazoleethanol 4-methanesulfonate
  • (Z)-ethyl 2-(2-(3-bromophenyl)hydrazono)-3-oxobutanoate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine