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1,2,3,4-Tetrahydroisoquinoline

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1,2,3,4-Tetrahydroisoquinoline

EINECS 202-050-0
CAS No. 91-21-4 Density 1.006 g/cm3
PSA 12.03000 LogP 1.66110
Solubility 20 G/L in water Melting Point -25 °C
Formula C9H11N Boiling Point 232.5 °C at 760 mmHg
Molecular Weight 133.193 Flash Point 98.9 °C
Transport Information N/A Appearance clear yellow to brown liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 91-21-4 (1,2,3,4-Tetrahydroisoquinoline) Hazard Symbols IrritantXi
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;

Article Data 200

1,2,3,4-Tetrahydroisoquinoline Chemical Properties

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 cm
Molar Volume: 132.2 cm3 
Surface Tension: 37 dyne/cm 
Density: 1.006 g/cm
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

1,2,3,4-Tetrahydroisoquinoline Uses

Skeleton of Tetrahydroisoquinoline (CAS NO.91-21-4) is commonly encountered in pharmaceutical drugs, notably quaternary ammonium muscle relaxants such as tubocurarine.

1,2,3,4-Tetrahydroisoquinoline 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.

1,2,3,4-Tetrahydroisoquinoline Consensus Reports

Reported in EPA TSCA Inventory.

1,2,3,4-Tetrahydroisoquinoline Safety Profile

Safety Information about Tetrahydroisoquinoline (CAS NO.91-21-4):
Hazard Codes: IrritantXi
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.

1,2,3,4-Tetrahydroisoquinoline 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.

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