3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid

Modify Date: 2024-02-01 19:13:55

3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid Structure
3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid structure
 Common Name 3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid
CAS Number 103859-69-4 Molecular Weight 634.93800
Density 2.83g/cm3 Boiling Point 774.8ºC at 760mmHg
Molecular Formula C12H8I3N5O2 Melting Point N/A
MSDS N/A Flash Point 422.4ºC

 Names

Name 3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid

 Chemical & Physical Properties

Density 2.83g/cm3
Boiling Point 774.8ºC at 760mmHg
Molecular Formula C12H8I3N5O2
Molecular Weight 634.93800
Flash Point 422.4ºC
Exact Mass 634.78100
PSA 126.95000
LogP 5.33580
Vapour Pressure 2.92E-25mmHg at 25°C
Index of Refraction 1.915
InChIKey DRVYHVJVLWMORU-UHFFFAOYSA-N
SMILES Nc1cnc(N=Nc2c(I)cc(I)c(C(=O)O)c2I)c(N)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG6241860
CHEMICAL NAME :
Benzoic acid, 3-(3,5-diamino-2-pyridylazo)-2,4,6-triiodo-
CAS REGISTRY NUMBER :
103859-69-4
BEILSTEIN REFERENCE NO. :
0575813
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H8-I3-N5-O2
MOLECULAR WEIGHT :
634.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 35,423,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
970 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 35,423,1960
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Chemsrc provides CAS#:103859-69-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid>> amp version: 3-[(3,5-diaminopyridin-2-yl)diazenyl]-2,4,6-triiodobenzoic acid

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