clonixin

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Names

[ CAS No. ]:
17737-65-4

[ Name ]:
clonixin

[Synonym ]:
2-(3-Chloro-2-methylanilino)nicotinic acid
2-[(3-chloro-2-methylphenyl)amino]pyridine-3-carboxylic acid
Clonixino
2-[(3-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid
Clonixin
2-(3-Chloro-o-toluidino)nicotinic Acid
T6NJ BMR CG B1& CVQ
EINECS 241-730-1
3-pyridinecarboxylic acid, 2-[(3-chloro-2-methylphenyl)amino]-
Clonixic acid
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
MFCD00864292
Deltar
2-[(3-Chloro-2-methylphenyl)amino]nicotinic acid
3-Pyridinecarboxylic acid, 2-[ (3-chloro-2-methylphenyl)amino]-
Clonixinum
3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-
Chlonixin
Clonixine
3-Pyridinecarboxylic acid, {2-[(3-chloro-2-methylphenyl)amino]-}

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
410.2±45.0 °C at 760 mmHg

[ Melting Point ]:
242 °C

[ Molecular Formula ]:
C13H11ClN2O2

[ Molecular Weight ]:
262.692

[ Flash Point ]:
201.9±28.7 °C

[ Exact Mass ]:
262.050903

[ PSA ]:
62.22000

[ LogP ]:
5.09

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

[ Index of Refraction ]:
1.665

[ Storage condition ]:
room temp

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT0960000
CHEMICAL NAME :
Nicotinic acid, 2-(3-chloro-o-toluidino)-
CAS REGISTRY NUMBER :
17737-65-4
BEILSTEIN REFERENCE NO. :
0483212
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C13-H11-Cl-N2-O2
MOLECULAR WEIGHT :
262.71
WISWESSER LINE NOTATION :
T6NTJ BMR CG B1& CVQ

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 :
335 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
148 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
325 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
198 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
263 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2240 mg/kg/4W-C
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach Liver - changes in liver weight Blood - normocytic anemia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10920 mg/kg/26W-C
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach Endocrine - changes in spleen weight Blood - normocytic anemia
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2240 mg/kg
SEX/DURATION :
male 28 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,655,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
280 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,453,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
560 mg/kg
SEX/DURATION :
female 7-13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,453,1975

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
20/21/22

[ Safety Phrases ]:
36/37

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2933399090

Precursor & DownStream

Precursor

  • 2-Chloronicotinic acid
  • 3-Chloro-2-methylaniline

DownStream

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • Clonixin lysinate
  • Lysine clonixinate
  • Lysine clonixinate
  • tert-butyl 4-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carboxylate
  • Tert-butyl 4-(2-((tert-butyldimethylsilyl)oxy)ethoxy)-2,2-dimethylpyrrolidine-1-carboxylate
  • tert-butyl 4-(4-((2,6-dioxopiperidin-3-yl)amino)phenyl)-3,6-dihydropyridine-1(2H)-carboxylate
  • tert-butyl 4-(4-((4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-methylphenyl)amino)quinazolin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylate
  • tert-butyl 4-(4-iodophenyl)-1H-1,2,3-triazole-5-carboxylate
  • tert-butyl 4-(5-(4-methylpyridin-3-yl)-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
  • tert-butyl 6-bromo-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate
  • Tert-butyl 6-nitrospiro[chromene-2,4'-piperidine]-1'-carboxylate
  • Thiophenium, 1-[4-(1,1-dimethylethyl)phenyl]tetrahydro-, salt with 4,4,5,5,6,6-hexafluorodihydro-4H-1,3,2-dithiazine 1,1,3,3-tetraoxide
  • Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2,2-difluoro-2-sulfoethyl ester, compd. with N-ethyl-N-(1-methylethyl)-2-propanamine (1:1)
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