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28094-15-7

Basic Information
CAS No.: 28094-15-7
Name: 1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 28094-15-7 (1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (1:1))
Formula: C8H11 N O3 . Cl H
Molecular Weight: 205.641
Synonyms: 1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (8CI,9CI); 6-Hydroxydopamine chloride; 6-Hydroxydopaminehydrochloride; Oxidopamine hydrochloride
EINECS: 248-837-2
Density: g/cm3
Melting Point: 232-233 °C (dec.)(lit.)
Boiling Point: 406 °C at 760 mmHg
Flash Point: 199.3 °C
Solubility: H2O: >50 mg/mL, clear, yellow to brown
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Transport Information: N/A
PSA: 86.71000
LogP: 1.80690
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Chemistry

Molecular Formula: C8H12ClNO3
Molar mass: 205.6388 g/mol
EINECS: 248-837-2
Flash Point: 199.3 °C
Boiling Point: 406 °C at 760 mmHg
Vapour Pressure: 3.58E-07 mmHg at 25°C
Melting point: 232-233 °C (dec.)(lit.)
Water solubility: Soluble
Appearance: Beige solid.
Solubility: H2O: >50 mg/mL, clear, yellow to brown
Form: Powder
Color: Off-white to brown
Structure of 6-Hydroxydopamine hydrochloride (28094-15-7):
   
H-Bond Donor: 5
H-Bond Acceptor: 4
Systematic Name: 5-(2-Aminoethyl)benzene-1,2,4-triol hydrochloride 
SMILES: Cl.Oc1cc(c(O)cc1O)CCN 
InChI: InChI=1/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H 
InChIKey: QLMRJHFAGVFUAC-UHFFFAOYAO 
Std. InChI: InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H 
Std. InChIKey: QLMRJHFAGVFUAC-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.
 

Hazard Codes: Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Specification

 6-Hydroxydopamine hydrochloride (28094-15-7) also can be called 6-OHDA ; Oxidopamine hydrochloride ; 5-(2-Aminoethyl)benzene-1,2,4-triol hydrochloride ; 1,2,4-Benzenetriol, 5- (2-aminoethyl)-, hydrochloride ;and ; oxidopamine .