1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

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Names

[ CAS No. ]:
116834-08-3

[ Name ]:
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

[Synonym ]:
1-phenyl-5-pyrrolylpyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylicacid,1-phenyl-5-(1H-pyrrol-1-yl)
1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
1-phenyl-5-pyrrol-1-yl-1H-pyrazole-4-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.3g/cm3

[ Boiling Point ]:
468.8ºC at 760mmHg

[ Melting Point ]:
185-189ºC

[ Molecular Formula ]:
C14H11N3O2

[ Molecular Weight ]:
253.25600

[ Flash Point ]:
237.3ºC

[ Exact Mass ]:
253.08500

[ PSA ]:
60.05000

[ LogP ]:
2.36120

[ Vapour Pressure ]:
1.37E-09mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6437500
CHEMICAL NAME :
1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS REGISTRY NUMBER :
116834-08-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H11-N3-O2
MOLECULAR WEIGHT :
253.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 43,251,1988

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ETHYL 1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLATE
  • 5-amino-4-carbethoxy-1-phenylpyrazole
  • Phenylhydrazine

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

  • Tert-butyl 2,7-diazaspiro[3.6]decane-7-carboxylate hydrochloride
  • Tert-butyl3-amino-6-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate hcl
  • Spiro[cyclohexane-1,3'-indoline]-5'-carboxylicacid trifluoroacetate
  • Methyl 5-Thia-2-Azaspiro[3.4]Octane-8-Carboxylate 5,5-Dioxide Hydrochloride
  • 3,7-Diaza-Bicyclo[4.2.0]Octane-3-Carboxylicacidtert-Butylester Oxalate
  • Tert-Butyl 3-Amino-1-Oxa-7-Azaspiro[4.5]Decane-7-Carboxylate Oxalate
  • Ethyl 1,2,3,4,5,6-Hexahydro-1,5-Methanobenzo[D]Azocine-5-Carboxylate Hydrochloride
  • Cis-Tert-Butyl3A-Phenylhexahydropyrrolo[3,4-C]Pyrrole-2(1H)-Carboxylate Hydrochloride
  • 4-Amino-1-Oxa-9-Aza-Spiro[5.5]Undecane-9-Carboxylicacidtert-Butylester Oxalate
  • 5,6,7,8-Tetrahydropyrrolo[3,2-C]azepin-4(1H)-one hcl