(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)ACETICACID

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Names

[ CAS No. ]:
16738-19-5

[ Name ]:
(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)ACETICACID

[Synonym ]:
Urea,2-thio-1-(2,5-xylyl)
1-(2,5-dimethylphenyl)-2-thiourea
N-(2,5-Dimethylphenyl)-thioharnstoff
(2,5-Dimethyl-phenyl)-thioharnstoff
(2,5-Xylyl) thiourea
2-Thio-1-(2,5-xylyl)urea
(2,5-Dimethyl-phenyl)-thiourea

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
288.2ºC at 760mmHg

[ Melting Point ]:
135℃

[ Molecular Formula ]:
C9H12N2S

[ Molecular Weight ]:
180.27000

[ Flash Point ]:
128.1ºC

[ Exact Mass ]:
180.07200

[ PSA ]:
70.14000

[ LogP ]:
2.73220

[ Vapour Pressure ]:
0.00237mmHg at 25°C

[ Index of Refraction ]:
1.674

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YU3850000
CHEMICAL NAME :
Urea, 2-thio-1-(2,5-xylyl)-
CAS REGISTRY NUMBER :
16738-19-5
BEILSTEIN REFERENCE NO. :
2092332
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N2-S
MOLECULAR WEIGHT :
180.29
WISWESSER LINE NOTATION :
SUYZMR B1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,46,1953

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,5-Dimethylphenylisothiocyanate
  • sym N,N'-bis(2,5-xylyl)thiourea
  • 2-Amino-p-xylene
  • benzoylthiocarbimide

DownStream

  • 4,7-DIMETHYLBENZO[D]THIAZOL-2-AMINE
  • Benzenethiol,2-amino-3,6-dimethyl-

Related Compounds

  • (R)-3-bromo-1-(trifluoromethyl)piperidine
  • N-((1-(trifluoromethyl)piperidin-2-yl)methyl)cyclopropanamine
  • Ethyl 2-amino-2-(oxolan-3-yl)acetate hydrochloride
  • 2-((2-Bromoethoxy)methyl)-1-(trifluoromethyl)piperidine
  • N-((1-benzylpiperidin-3-yl)methyl)-1,1,1-trifluoromethanamine
  • 4-methyl-2,3-dioxo-1H-indole-7-carboxylic acid
  • Benzyl 2-(((trifluoromethyl)amino)methyl)pyrrolidine-1-carboxylate
  • Benzyl 4-(((trifluoromethyl)amino)methyl)piperidine-1-carboxylate
  • 3-(2-chloro-6-fluorobenzyl)-N-cyclopropyltetrahydro-2H-pyran-4-amine
  • 3-(4-fluorobenzyl)tetrahydro-2H-pyran-4-sulfonyl chloride
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