3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile

Suppliers

Names

[ CAS No. ]:
110579-04-9

[ Name ]:
3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile

[Synonym ]:
Propanenitrile,3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)
3-((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
645.1ºC at 760mmHg

[ Molecular Formula ]:
C15H15N5O5S

[ Molecular Weight ]:
377.37500

[ Flash Point ]:
343.9ºC

[ Exact Mass ]:
377.07900

[ PSA ]:
167.78000

[ LogP ]:
4.11698

[ Vapour Pressure ]:
1.57E-16mmHg at 25°C

[ Index of Refraction ]:
1.659

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ4890000
CHEMICAL NAME :
Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-ni tro-1H-imidazol-5-yl) thio)-
CAS REGISTRY NUMBER :
110579-04-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H15-N5-O5-S
MOLECULAR WEIGHT :
377.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 21,403,1987

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-chloropropiononitrile
  • 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiol, ammonia salt

DownStream

Related Compounds

  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-{[(thiophen-2-yl)methyl]sulfamoyl}thiophene-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-(phenylcarbamoyl)benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(phenylcarbamoyl)benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-butoxy-4-propoxybenzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.