3-Cyanopyridine

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Names

[ CAS No. ]:
100-54-9

[ Name ]:
3-Cyanopyridine

[Synonym ]:
pyridine-3-carbonitrile
EINECS 202-863-0
3-Cyanopyridine
MFCD00006372
Pyridine, 3-cyano-
3-Pyridinecarbonitrile
Nicotinonitrile
3-Pyridinenitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
203.0±13.0 °C at 760 mmHg

[ Melting Point ]:
48-52 °C(lit.)

[ Molecular Formula ]:
C6H4N2

[ Molecular Weight ]:
104.109

[ Flash Point ]:
84.4±0.0 °C

[ Exact Mass ]:
104.037445

[ PSA ]:
36.68000

[ LogP ]:
0.50

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.540

[ Stability ]:
Incompatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases.

[ Water Solubility ]:
140 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT3030000
CHEMICAL NAME :
Nicotinonitrile
CAS REGISTRY NUMBER :
100-54-9
BEILSTEIN REFERENCE NO. :
0107711
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C6-H4-N2

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 :
1185 mg/kg
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 30,109,1979
TYPE OF TEST :
LD25 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
810 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 64,528,1975
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - corneal damage Skin and Appendages - dermatitis, irritative (after systemic exposure)
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 30,109,1979

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S22-S24/25-S36/37/39-S26

[ RIDADR ]:
1325.0

[ WGK Germany ]:
3

[ RTECS ]:
QT3030000

[ Packaging Group ]:
I; II; III

[ Hazard Class ]:
6.1

[ HS Code ]:
2933399010

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-pyridinealdoxime
  • Nicotinyl alcohol
  • Nicotinaldehyde
  • Ethyl nicotinate
  • 3-Bromopyridine
  • Nicotinamide
  • (E)-Pyridine-3-carbaldehydeoxime
  • 3-Pyridinecarboxamide,N,N-dimethyl-
  • N-METHOXY-N-METHYLNICOTINAMIDE
  • zinc,dicyanide

DownStream

  • 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
  • (2-amino-5-chlorophenyl)-pyridin-3-ylmethanone
  • Ethanone, 1-(3-pyridinyl)-, oxime, (1E)- (9CI)
  • Picolamine
  • 3,3'-dipicolylamine
  • ethyl 3-cyanopyridine-4-carboxylate
  • Ethyl 5-cyano-2-pyridinecarboxylate
  • ethyl 3-cyanopyridine-2-carboxylate
  • diethyl 3-cyano-2,4-pyridinedicarboxylate
  • diethyl 5-cyano-2,4-pyridinedicarboxylate

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

  • 3-Cyanopyridine
  • N-oxy-3-cyanopyridine
  • 3-cyanopyridine-2-thiol
  • 3-cyanopyridine n-oxide
  • 2-Amino-3-cyanopyridine
  • 5-Bromo-3-cyanopyridine
  • 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
  • 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
  • 4,4'-Disulfanediylbis(pyrazolidine-1,2-dicarbaldehyde)
  • 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
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide