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55-22-1

55-22-1 structure
55-22-1 structure
Name isonicotinic acid
Synonyms EINECS 200-228-2
4-Pyridinecarboxylic acid
g-Pyridinecarboxylic Acid
Pyridine-4-carboxylic acid
MFCD00006429
g-picolinic acid
Isonicotinic acid
Description Isonicotinic acid is a metabolite of Isoniazid. Isoniazid is converted to Isonicotinic acid by hydrazinolysis, with the Isoniazid to Isonicotinic acid biotransformation also to be catalyzed by cytochrome P450 (CYP) enzymes, e.g., CYP2C[1].
Related Catalog
References

[1]. Seng KY, et al. Population pharmacokinetic analysis of isoniazid, acetylisoniazid, and isonicotinic acid in healthy volunteers. Antimicrob Agents Chemother. 2015 Nov;59(11):6791-9.
Density 1.3±0.1 g/cm3
Boiling Point 396.0±15.0 °C at 760 mmHg
Melting Point ≥300 °C(lit.)
Molecular Formula C6H5NO2
Molecular Weight 123.109
Flash Point 193.3±20.4 °C
Exact Mass 123.032028
PSA 50.19000
LogP 0.54
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.571
Storage condition -20°C
Water Solubility 5.2 g/L (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NS1103000
CHEMICAL NAME :
Isonicotinic acid
CAS REGISTRY NUMBER :
55-22-1
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C6-H5-N-O2
MOLECULAR WEIGHT :
123.12
WISWESSER LINE NOTATION :
T6NJ DVQ

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 :
5 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3123 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
436 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 23,1343,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6268 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1822 (estimated) No. of Female Employees: 272 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS NS1103000
HS Code 2933399090
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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