1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid

Modify Date: 2024-01-16 19:49:07

1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid Structure
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid structure
Common Name 1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid
CAS Number 50264-63-6 Molecular Weight 270.258
Density 1.3±0.1 g/cm3 Boiling Point 495.5±30.0 °C at 760 mmHg
Molecular Formula C15H11FN2O2 Melting Point N/A
MSDS N/A Flash Point 253.4±24.6 °C

 Names

Name 1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 495.5±30.0 °C at 760 mmHg
Molecular Formula C15H11FN2O2
Molecular Weight 270.258
Flash Point 253.4±24.6 °C
Exact Mass 270.080444
PSA 55.12000
LogP 3.16
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.640

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK7886400
CHEMICAL NAME :
1H-Indazole-3-carboxylic acid, 1-(p-fluorobenzyl)-
CAS REGISTRY NUMBER :
50264-63-6
BEILSTEIN REFERENCE NO. :
0888595
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H11-F-N2-O2
MOLECULAR WEIGHT :
270.28
WISWESSER LINE NOTATION :
T56 BNNJ B1R DF& DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
377 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,778,1976

 Safety Information

HS Code 2933990090

 Synthetic Route

~97%

1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid Structure

1-(4-Fluorobenz...

CAS#:50264-63-6

Literature: Pfizer Inc. Patent: US2011/28447 A1, 2011 ; Location in patent: Page/Page column 33-34 ;

~%

1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid Structure

1-(4-Fluorobenz...

CAS#:50264-63-6

Literature: Pfizer Inc. Patent: US2011/28447 A1, 2011 ;

~%

1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid Structure

1-(4-Fluorobenz...

CAS#:50264-63-6

Literature: Pfizer Inc. Patent: US2011/28447 A1, 2011 ;

 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%

 Synonyms

1H-Indazole-3-carboxylic acid,1-(p-fluorobenzyl)
1-(4-fluoro-benzyl)-1H-indazole-3-carboxylic acid
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid
1H-Indazole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-