3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

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Names

[ CAS No. ]:
104310-02-3

[ Name ]:
3-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde

[Synonym ]:
3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde
2,3,4,5-Tetrahydro-3-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxaldehyde
1H-1,5-BENZODIAZEPINE-1-CARBOXALDEHYDE,2,3,4,5-TETRAHYDRO-3-METHYL-4-OXO

Chemical & Physical Properties

[ Density]:
1.244g/cm3

[ Boiling Point ]:
425.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H12N2O2

[ Molecular Weight ]:
204.22500

[ Flash Point ]:
210.9ºC

[ Exact Mass ]:
204.09000

[ PSA ]:
49.41000

[ LogP ]:
2.07650

[ Vapour Pressure ]:
1.95E-07mmHg at 25°C

[ Index of Refraction ]:
1.608

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE8747910
CHEMICAL NAME :
1H-1,5-Benzodiazepine-1-carboxaldehyde, 2,3,4,5-tetrahydro-3-methyl-4-oxo-
CAS REGISTRY NUMBER :
104310-02-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2-O2
MOLECULAR WEIGHT :
204.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
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: 19,686,1985

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formic Acid
  • 3-METHYL-1,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE
  • o-Phenylenediamine

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 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
  • 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-Cyclopropoxy-N-methyl-6-sulfamoylnicotinamide
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide