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Sodium aristolate 1

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Name

Sodium aristolate 1

EINECS 233-463-4
CAS No. 10190-99-5 Density g/cm3
PSA 113.64000 LogP 2.52520
Solubility H2O: 50 mg/mL Melting Point N/A
Formula C17H11 N O7 . Na Boiling Point 615.5 °C at 760 mmHg
Molecular Weight 363.27 Flash Point 326 °C
Transport Information N/A Appearance powder
Safety Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. Risk Codes 23/24/25-40
Molecular Structure Molecular Structure of 10190-99-5 (ARISTOLOCHIC ACID SODIUM SALT) Hazard Symbols Suspected carcinogen.
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

 

Sodium aristolate 1 Chemical Properties

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

Sodium aristolate 1 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.

Sodium aristolate 1 Safety Profile

Suspected carcinogen. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: ToxicT
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

Sodium aristolate 1 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.

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