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| CAS No.: | 73-05-2 |
|---|---|
| Name: | Phentolamine hydrochloride |
| Molecular Structure: | |
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|
|
| Formula: | C17H19 N3 O . Cl H |
| Molecular Weight: | 317.818 |
| Synonyms: | Phenol,3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-,monohydrochloride (9CI); Phenol, m-[N-(2-imidazolin-2-ylmethyl)-p-toluidino]-,monohydrochloride (8CI); DNP; Phentolamine chloride; Phentolaminehydrochloride; Regitine hydrochloride;m-[N-(2-Imidazolin-2-ylmethyl)-p-toluidino]phenol hydrochloride |
| EINECS: | 200-793-5 |
| Melting Point: | >230 (dec.)°C |
| Boiling Point: | 569°C at 760 mmHg |
| Flash Point: | 297.9°C |
| Hazard Symbols: |
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| Risk Codes: | R22 |
| Safety: | 3764617 |
| PSA: | 47.86000 |
| LogP: | 3.40680 |
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Chemistry
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IUPAC Name: 4-[N-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol hydrochloride
Canonical SMILES: CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC=C(C=C3)O.Cl
InChI: InChI=1S/C17H19N3O.ClH/c1-13-2-4-14(5-3-13)20(12-17-18-10-11-19-17)15-6-8-16(21)9-7-15;/h2-9,21H,10-12H2,1H3,(H,18,19);1H
InChIKey: JZYAMURVBSVJTK-UHFFFAOYSA-N
Molecular Weight: 317.8132 [g/mol]
Molecular Formula: C17H20ClN3O
H-Bond Donor: 3
H-Bond Acceptor: 4
EINECS: 200-793-5
Product Categories: Diagnostic; Intermediates & Fine Chemicals; Pharmaceuticals
Solubility: methanol: 10 mg/mL, clear, colorless
Index of Refraction:
Molar Refractivity: cm3
Molar Volume: cm3
Surface Tension: dyne/cm
Density: g/cm3
Flash Point: 297.9 °C
Enthalpy of Vaporization: 88.55 kJ/mol
Boiling Point: 569 °C at 760 mmHg
Vapour Pressure: 1.5E-13 mmHg at 25 °C
Melting Point: >230 (dec.)°C
Appearance: white to off-white powder
Classification Code of Phentolamine hydrochloride (CAS NO.73-05-2): Drug / Therapeutic Agent
Uses
Phentolamine hydrochloride (CAS NO.73-05-2) is used as an adrenergic blocking agent and an antihypertensive. It is also used for the treatment of pheochromocytoma.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 104mg/kg (104mg/kg) | Veterinary and Human Toxicology. Vol. 39, Pg. 214, 1997. | |
| rat | LD50 | intravenous | 75mg/kg (75mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 71, Pg. 70, 1949. | |
| rat | LD50 | oral | 1250mg/kg (1250mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 71, Pg. 70, 1949. | |
| rat | LD50 | subcutaneous | 275mg/kg (275mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 71, Pg. 70, 1949. |
Safety Profile
Hazard Codes: 
Xn,
C
Risk Statements: 22-34
R22:Harmful if swallowed.
R34:Causes burns.
Safety Statements: 22-24/25-45-36/37/39-27-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S27:Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3249
WGK Germany: 3
RTECS: SL0701000
HazardClass: 6.1(b)
PackingGroup: III
Specification
Phentolamine hydrochloride (CAS NO.73-05-2), its Synonyms are 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)phenol hydrochloride ; Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino), monohydrochloride ; Phentolamine HCl ; Phentolamine chloride ; Regitine hydrochloride ; m-(N-(2-Imidazolin-2-ylmethyl)-p-toluidino)phenol monohydrochloride ; Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, monohydrochloride (8CI) .