3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate

Modify Date: 2025-09-18 05:45:58

3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate Structure
3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate structure
Common Name 3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate
CAS Number 161373-44-0 Molecular Weight 225.17700
Density 1.605g/cm3 Boiling Point 431.9ºC at 760 mmHg
Molecular Formula C9H8FN3O3 Melting Point N/A
MSDS N/A Flash Point 215ºC

 Names

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

 Chemical & Physical Properties

Density 1.605g/cm3
Boiling Point 431.9ºC at 760 mmHg
Molecular Formula C9H8FN3O3
Molecular Weight 225.17700
Flash Point 215ºC
Exact Mass 225.05500
PSA 98.33000
LogP 1.56620
Vapour Pressure 3.17E-08mmHg at 25°C
Index of Refraction 1.728
InChIKey BEWFSFYJMYHJPE-UHFFFAOYSA-N
SMILES Nc1c(C(=O)O)nnc2cc(F)ccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GE3626312
CHEMICAL NAME :
3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate
CAS REGISTRY NUMBER :
161373-44-0
LAST UPDATED :
199603
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H6-F-N3-O2.H2-O
MOLECULAR WEIGHT :
225.20

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 :
200 mg/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 :
20 mg/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

 Synonyms

3-Cinnolinecarboxylicacid,4-amino-7-fluoro
3-Cinnolinecarboxylic acid,4-amino-7-fluoro-,hydrate
4-Amino-7-fluoro-3-cinnolinecarboxylic acid hydrate
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