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| CAS No.: | 91-21-4 |
|---|---|
| Name: | 1,2,3,4-Tetrahydroisoquinoline |
| Article Data: | 200 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H11N |
| Molecular Weight: | 133.193 |
| Synonyms: | 1,2,3,4-Tetrahydro isoquinoline;1,2,3,4-Tetrahydroleucoline hydrochloride;3,4-dihydro-1H-isoquinoline;1,2,3,4-Tetrahydro-isoquinoline;3,4-dihydro-1H-isoquinoline chloride;Tetrahydroisoquinoline; |
| EINECS: | 202-050-0 |
| Density: | 1.006 g/cm3 |
| Melting Point: | -25 °C |
| Boiling Point: | 232.5 °C at 760 mmHg |
| Flash Point: | 98.9 °C |
| Solubility: | 20 G/L in water |
| Appearance: | clear yellow to brown liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 12.03000 |
| LogP: | 1.66110 |
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Chemistry
IUPAC Name: 1,2,3,4-Tetrahydroisoquinoline
Synonyms of Tetrahydroisoquinoline (CAS NO.91-21-4): 1,2,3,4-Tetrahydroisoquinoline ; Tetrahydroisoquinoline ; Isoquinoline, 1,2,3,4-tetrahydro-
CAS NO: 91-21-4
Molecular Formula: C9H11N
Molecular Weight: 133.19
Molecular Structure:
EINECS: 202-050-0
Boiling Point: 232.5 °C at 760 mmHg
Index of Refraction: 1.544
Molar Refractivity: 41.77 cm3
Molar Volume: 132.2 cm3
Surface Tension: 37 dyne/cm
Density: 1.006 g/cm3
Flash Point: 98.9 °C
Melting Point: -25°C
Enthalpy of Vaporization: 46.92 kJ/mol
Vapour Pressure: 0.0588 mmHg at 25°C
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 3.24 Å2
Appearance: clear yellow to brown liquid
Product Categories of Tetrahydroisoquinoline (CAS NO.91-21-4): Quinoline&Isoquinoline;Building Blocks;Heterocyclic Building Blocks;Isoquinolines
Uses
Skeleton of Tetrahydroisoquinoline (CAS NO.91-21-4) is commonly encountered in pharmaceutical drugs, notably quaternary ammonium muscle relaxants such as tubocurarine.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | subcutaneous | 240mg/kg (240mg/kg) | AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information about Tetrahydroisoquinoline (CAS NO.91-21-4):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: NX4900000
Hazard Note Irritant
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Corrosives area.