Isonicotinic acid

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Names

[ CAS No. ]:
55-22-1

[ Name ]:
Isonicotinic acid

[Synonym ]:
EINECS 200-228-2
4-Pyridinecarboxylic acid
g-Pyridinecarboxylic Acid
Pyridine-4-carboxylic acid
MFCD00006429
g-picolinic acid
Isonicotinic acid

Chemical & Physical Properties

[ 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)

MSDS

Click to get detail MSDS

Toxicological Information

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)

Safety Information

[ Symbol ]:

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isonicotinamide
  • 4-Picoline
  • Pyridine-4-Carboxylic Acid N-Oxide
  • Isoniazid
  • Isonicotinonitrile
  • p-Formylpyridine
  • 4-methoxybenzyl isonicotinate
  • isopentenyl isonicotinate
  • Pyridine,4-(bromomethyl)-(9CI)
  • 4-Pyridinemethanol

DownStream

  • 4-amino-5-(4-pyridyl)-4 h-1,2,4-triazole-3-thiol
  • Isoniazid
  • 1,2-Diisonicotinoylhydrazine
  • (4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole)
  • Cinchomeronic acid
  • 1-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID
  • Pyridine,4-(bromomethyl)-(9CI)
  • 3-Nitroisonicotinic acid
  • 4-Pyridinemethanol
  • 4-Picoline

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

  • Isonicotinic acid
  • Isonicotinic acid nitrile
  • 2-vinyl-isonicotinic acid
  • 2-Ethynylisonicotinic acid
  • 2-butoxy-isonicotinic acid
  • 2-phenoxy isonicotinic acid
  • 2-(3-Chloro-4-methylthiophen-2-yl)-2,2-difluoroacetic acid
  • tert-Butyl (5-ethynyl-1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)carbamate
  • Di-tert-butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-((triisopropylsilyl)ethynyl)quinolin-2-yl)iminodicarbonate
  • tert-Butyl (5,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)carbamate
  • ((1R)-1-Methoxy-6-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
  • 1-(2-Aminoethyl)-3,4-dibromo-1H-pyrrole-2,5-dione
  • 2-(2-(2-Chloro-3-(2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-benzo[f]indol-1-ium iodide
  • 2-(2-(2-Chloro-3-(2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-benzo[f]indol-1-ium
  • 3-(3-((4,4'-Dicarboxy-[1,1'-biphenyl]-2-yl)methyl)-1H-imidazol-3-ium-1-yl)propane-1-sulfonate
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