4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid

Modify Date: 2024-01-02 18:53:28

4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid Structure
4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid structure
Common Name 4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid
CAS Number 159831-73-9 Molecular Weight 241.60600
Density 1.713g/cm3 Boiling Point 464.6ºC at 760 mmHg
Molecular Formula C9H5ClFN3O2 Melting Point N/A
MSDS N/A Flash Point 234.8ºC

 Names

Name 4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.713g/cm3
Boiling Point 464.6ºC at 760 mmHg
Molecular Formula C9H5ClFN3O2
Molecular Weight 241.60600
Flash Point 234.8ºC
Exact Mass 241.00500
PSA 89.10000
LogP 2.28390
Vapour Pressure 1.98E-09mmHg at 25°C
Index of Refraction 1.731

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GE3623156
CHEMICAL NAME :
3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate
CAS REGISTRY NUMBER :
159831-73-9
LAST UPDATED :
199603
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H5-Cl-F-N3-O2.H2-O
MOLECULAR WEIGHT :
259.64

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,884,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,884,1994

 Synthetic Route

~81%

4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid Structure

4-amino-7-chlor...

CAS#:159831-73-9

Literature: Stanczak; Kwapiszewski; Lewgowd; Ochocki; Szadowska; Pakulska; Glowka Pharmazie, 1994 , vol. 49, # 12 p. 884 - 889

~%

4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid Structure

4-amino-7-chlor...

CAS#:159831-73-9

Literature: Stanczak; Kwapiszewski; Lewgowd; Ochocki; Szadowska; Pakulska; Glowka Pharmazie, 1994 , vol. 49, # 12 p. 884 - 889

~%

4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid Structure

4-amino-7-chlor...

CAS#:159831-73-9

Literature: Stanczak; Kwapiszewski; Lewgowd; Ochocki; Szadowska; Pakulska; Glowka Pharmazie, 1994 , vol. 49, # 12 p. 884 - 889

 Synonyms

3-Cinnolinecarboxylic acid,4-amino-7-chloro-6-fluoro-,hydrate
4-Amino-7-chloro-6-fluoro-3-cinnolinecarboxylic acid hydrate
4-Amino-6-fluoro-7-chlorocinnoline-3-carboxylicacid