4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one

Modify Date: 2024-02-03 21:02:43

4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one Structure
4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one structure
Common Name 4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one
CAS Number 4942-70-5 Molecular Weight 229.27800
Density 1.11g/cm3 Boiling Point 309.1ºC at 760 mmHg
Molecular Formula C13H15N3O Melting Point N/A
MSDS N/A Flash Point 140.7ºC

 Names

Name (4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 309.1ºC at 760 mmHg
Molecular Formula C13H15N3O
Molecular Weight 229.27800
Flash Point 140.7ºC
Exact Mass 229.12200
PSA 35.91000
LogP 1.35520
Index of Refraction 1.581

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ9155000
CHEMICAL NAME :
2-Pyrazolin-5-one, 4-((dimethylamino)methylene)-3-methyl-1-phenyl-
CAS REGISTRY NUMBER :
4942-70-5
LAST UPDATED :
198011
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H15-N3-O
MOLECULAR WEIGHT :
229.31
WISWESSER LINE NOTATION :
T5NNV DHJ BR& D1N1&1 E1

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 :
5600 ug/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#09866

 Safety Information

HS Code 2933199090

 Synthetic Route

~83%

4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one Structure

4-(Dimethylamin...

CAS#:4942-70-5

Literature: Abdel-Megid Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 3 p. 316 - 324

~58%

4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one Structure

4-(Dimethylamin...

CAS#:4942-70-5

Literature: Shemarova; Maizel; Voznyi; Stepanova; Khovanskikh Pharmaceutical Chemistry Journal, 2000 , vol. 34, # 10 p. 530 - 532

~%

4-(Dimethylamino)methylene-3-methyl-1-phenyl-2-pyrazolin-5-one Structure

4-(Dimethylamin...

CAS#:4942-70-5

Literature: Koelle, Ulrich; Kolb, Bernd; Mannschreck, Albrecht Chemische Berichte, 1980 , vol. 113, # 7 p. 2545 - 2565

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-dimethylaminomethylene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
1-phenyl-3-methyl-4-dimethylaminomethylene-5-pyrazolone
3-methyl-4-dimethylaminomethylidene-1-phenylpyrazol-5-one
5-Oxo-3-methyl-1-phenyl-4-dimethylaminomethylen-4,5-dihydro-pyrazol
4-Dimethylaminomethylen-3-methyl-1-phenylpyrazol-5-on