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-(3-Chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-amine
  • 4-(3-Chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
  • N-(1-(furan-3-yl)propan-2-yl)-2-phenylthiazole-4-carboxamide
  • 1H-Pyrazole, 4-(1-chloroethyl)-3-methyl-
  • 7-chloro-2-(4-methylpyridin-2-yl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 2-[3-(3-methylbutyl)-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 3-(4-benzyl-5-oxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
  • 2-[[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
  • 3-(Aminomethyl)-2-cyclopropoxybenzoic acid
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