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| CAS No.: | 10190-99-5 |
|---|---|
| Name: | ARISTOLOCHIC ACID SODIUM SALT |
| Molecular Structure: | |
|
|
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| Formula: | C17H11 N O7 . Na |
| Molecular Weight: | 363.27 |
| Synonyms: | Aristolochicacid I, sodium salt (6CI); Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid,8-methoxy-6-nitro-, sodium salt (8CI,9CI); Sodium aristolochate-I |
| EINECS: | 233-463-4 |
| Density: | g/cm3 |
| Boiling Point: | 615.5 °C at 760 mmHg |
| Flash Point: | 326 °C |
| Solubility: | H2O: 50 mg/mL |
| Appearance: | powder |
| Hazard Symbols: | Suspected carcinogen. |
| Risk Codes: | 23/24/25-40 |
| Safety: | Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 113.64000 |
| LogP: | 2.52520 |
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Chemistry
Molecule structure of Sodium aristolate 1 (CAS NO.10190-99-5) :
IUPAC Name: sodium 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Molecular Weight: 363.25357 g/mol
Molecular Formula: C17H10NNaO7
Boiling Point: 615.5 °C at 760 mmHg
Flash Point: 326 °C
Enthalpy of Vaporization: 96 kJ/mol
Vapour Pressure: 5.24E-16 mmHg at 25 °C
Solubility: H2O: 50 mg/mL
Form: powder
Color: orange
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Exact Mass: 363.035496
MonoIsotopic Mass: 363.035496
Topological Polar Surface Area: 111
Heavy Atom Count: 26
Complexity: 544
Canonical SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]
InChI: InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1
InChIKey: BQVOPWJSBBMGBR-UHFFFAOYSA-M
EINECS: 233-463-4
Toxicity Data With Reference
| 1. | uns-esc 170 ng/tube | MUREAV Mutation Research. 445 (1999),81. | ||
| 2. | dnd-orl-rat 600 mg/kg/12W-I | CRNGDP Carcinogenesis. 13 (1992),1835. |
Safety Profile
Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: 
T
Risk Statements: 23/24/25-40
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-36/37/39-45
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2811
WGK Germany: 3
RTECS: SF8281000
HazardClass: 6.1(b)
PackingGroup: III
Specification
Sodium aristolate 1 (CAS NO.10190-99-5) is also called CCRIS 6498 ; Sodium 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate . Sodium aristolate 1 (CAS NO.10190-99-5) is toxic. It is flammable. It will produce toxic nitrogen oxides and sodium oxide gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Sodium aristolate 1 (CAS NO.10190-99-5) separate from raw materials of food.