3-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE

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Names

[ CAS No. ]:
18741-24-7

[ Name ]:
3-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE

[Synonym ]:
4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazoline
3-phenyl-2-thioxo-2,3-dihydro-1H-quinazoline-4-one
2-Mercapto-3-phenyl-3H-quinazolin-4-one
3-phenyl-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
3-phenyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline
2-Thio-3-phenyl-1,3-dihydroquinazolin-4-one
3-phenyl-2-sulfanyl-3-hydroquinazolin-4-one
EINECS 242-550-6
Quinazolin-4-one,1,3-dihydro-3-phenyl-2-thio

Chemical & Physical Properties

[ Density]:
1.4g/cm3

[ Boiling Point ]:
414.8ºC at 760mmHg

[ Melting Point ]:
313-314ºC

[ Molecular Formula ]:
C14H10N2OS

[ Molecular Weight ]:
254.30700

[ Flash Point ]:
204.6ºC

[ Exact Mass ]:
254.05100

[ PSA ]:
69.88000

[ LogP ]:
3.04830

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA3270000
CHEMICAL NAME :
Quinazolin-4-one, 1,3-dihydro-3-phenyl-2-thio-
CAS REGISTRY NUMBER :
18741-24-7
LAST UPDATED :
197905
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-N2-O-S
MOLECULAR WEIGHT :
254.32
WISWESSER LINE NOTATION :
T66 BMYNVJ CUS DR

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 :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04508

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenyl isothiocyanate
  • Methyl 2-aminobenzoate
  • Anthranilic acid
  • Isatoic anhydride
  • Bis(1-benzotriazolyl)methanethione
  • Benzoic acid, 2-nitro-,ethyl ester
  • 1-cyano-N-phenylmethanethioamide
  • METHYL DITHIOCARBANILATE
  • 2-(phenylcarbamothioylamino)benzoic acid

DownStream

  • 2-[[2-(Diethylamino)ethyl]thio]-3-phenylquinazolin-4(3H)-one
  • 2,4(1H,3H)-Quinazolinedione,3-phenyl-
  • 2-(Ethylthio)-3-phenylquinazolin-4(3H)-one
  • 2-CHLORO-3-PHENYLQUINAZOLIN-4(3H)-ONE
  • 2-hydrazinyl-3-phenylquinazolin-4-one
  • Piperazine, 1-(((3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)acetyl )-4-phenyl-
  • [1,3]benzothiazolo[2,3-b]quinazolin-12-one

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%