1,3-Dimethyl-5-phenylbarbituric acid

Modify Date: 2025-08-21 15:12:12

1,3-Dimethyl-5-phenylbarbituric acid Structure
1,3-Dimethyl-5-phenylbarbituric acid structure
Common Name 1,3-Dimethyl-5-phenylbarbituric acid
CAS Number 7391-66-4 Molecular Weight 232.23500
Density 1.274g/cm3 Boiling Point 352.7ºC at 760mmHg
Molecular Formula C12H12N2O3 Melting Point N/A
MSDS N/A Flash Point 155.2ºC

 Names

Name 1,3-Dimethyl-5-phenylbarbituric acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.274g/cm3
Boiling Point 352.7ºC at 760mmHg
Molecular Formula C12H12N2O3
Molecular Weight 232.23500
Flash Point 155.2ºC
Exact Mass 232.08500
PSA 57.69000
LogP 0.69640
Index of Refraction 1.57
InChIKey UGFMJBRXTRUGJC-UHFFFAOYSA-N
SMILES CN1C(=O)C(c2ccccc2)C(=O)N(C)C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4168000
CHEMICAL NAME :
Barbituric acid, 1,3-dimethyl-5-phenyl-
CAS REGISTRY NUMBER :
7391-66-4
BEILSTEIN REFERENCE NO. :
0217726
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-N2-O3
MOLECULAR WEIGHT :
232.26
WISWESSER LINE NOTATION :
T6VNVNV FHJ B1 D1 FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 63,356,1941

 Safety Information

HS Code 2933540000

 Synthetic Route

~72%

1,3-Dimethyl-5-phenylbarbituric acid Structure

1,3-Dimethyl-5-...

CAS#:7391-66-4

Literature: Lapachev, Vyacheslav V.; Stadlbauer, Wolfgang; Kappe, Thomas Monatshefte fuer Chemie, 1988 , vol. 119, p. 97 - 102

 Customs

HS Code 2933540000
Summary 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

 Synonyms

EINECS 230-981-2
5-Phenyl-1,3-dimethyl-barbituricadid(PDMBA)
1,3-dimethyl-5-phenyl-barbituric acid
AURORA KA-3845
1,3-DIMETHYL-5-PHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
1,3-Dimethyl-5-phenyl-pyrimidine-2,4,6-trione
1,3-dimethyl-5-phenylbarbitursaeure
MFCD00100797
1,3-Dimethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
1,3-dimethyl-5-phenyl-barbituricaci
5-PHENYL-1,3-DIMETHYL-BARBITURIC ACID
1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
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