Isonipecotic acid

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Names

[ CAS No. ]:
498-94-2

[ Name ]:
Isonipecotic acid

[Synonym ]:
Isonipecotic acid
4-Hexahydroisonicotinic acid
Piperidine-4-carboxylic acid
UNII-M5TZP1RWIE
4-Piperidinecarboxylic acid
Hexahydroisonicotinic acid
EINECS 207-872-3
MFCD00006004
Isonipecoticacid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
265.8±33.0 °C at 760 mmHg

[ Melting Point ]:
>300 °C(lit.)

[ Molecular Formula ]:
C6H11NO2

[ Molecular Weight ]:
129.157

[ Flash Point ]:
114.5±25.4 °C

[ Exact Mass ]:
129.078979

[ PSA ]:
49.33000

[ LogP ]:
-0.08

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.479

[ Storage condition ]:
Store at 0-5°C

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NS5150000
CHEMICAL NAME :
Isonipecotic acid
CAS REGISTRY NUMBER :
498-94-2
BEILSTEIN REFERENCE NO. :
0112553
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N-O2
MOLECULAR WEIGHT :
129.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2100 mg/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

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-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NS5150000

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pyridine-4-Carboxylic Acid N-Oxide
  • Isonicotinic acid
  • 3-QUINUCLIDINONE
  • N-Cbz-4-Piperidinecarboxylic acid
  • 4-bromo-2-(2-bromo-ethyl)-butyric acid ethyl ester
  • Piperidine
  • Formic Acid
  • NITROSOISONIPECOTICACID
  • 1-[bis(dimethylamino)methylene]piperidinium 4-carboxylate
  • 2,6-Dichloroisonicotinic acid

DownStream

  • N-BENZYLPIPERIDINE-4-CARBOXAMIDE HYDROCHLORIDE
  • 1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
  • 1-Methylpiperidin-4-carbaldehyd
  • 1-Benzoyl-4-piperidinecarboxylic acid
  • 2-piperazin-1-yl-benzothiazole
  • 1-(PIPERIDIN-4-YL)ETHANONE
  • (4-chlorophenyl)(4-piperidyl)methanone hydrochloride
  • 4-(4-Fluorobenzyl)piperidine
  • 2-(Piperidin-4-yl)benzo[d]thiazole
  • 2-piperidin-4-yl-benzooxazole

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

  • Isonipecotic acid-d9
  • Boc-isonipecotic acid
  • Boc-isonipecotic acid
  • Boc-isonipecotic acid
  • ethyl isonipecotic acid
  • 1-Cbz-isonipecotic Acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-Amino-3-(1,1-dioxo-1lambda6-thietan-3-yl)propanoic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • methyl 5-cyclopentyl-1-propyl-1H-1,2,3-triazole-4-carboxylate
  • 1-(2,2-Difluoropropyl)cyclopropane-1-carboxylic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • Ethyl 2-butylpiperidine-3-carboxylate
  • (3S)-3-(2-fluoro-6-methylphenyl)-3-hydroxypropanoic acid
  • N-[(1,3-dioxaindan-5-yl)methyl]-4-(3-chloro-4-hydroxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide