Introduction：Basic information about CAS 91-21-4|1,2,3,4-Tetrahydroisoquinoline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,3,4-Tetrahydroisoquinoline |
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| CAS Number | 91-21-4 | Molecular Weight | 133.190 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 232.5±9.0 °C at 760 mmHg |
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| Molecular Formula | C9H11N | Melting Point | −30 °C(lit.) |
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| MSDS | / | Flash Point | 98.9±0.0 °C |
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Names
| Name | 1,2,3,4-Tetrahydroisoquinoline |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 232.5±9.0 °C at 760 mmHg |
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| Melting Point | −30 °C(lit.) |
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| Molecular Formula | C9H11N |
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| Molecular Weight | 133.190 |
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| Flash Point | 98.9±0.0 °C |
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| Exact Mass | 133.089142 |
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| PSA | 12.03000 |
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| LogP | 1.40 |
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| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
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| Index of Refraction | 1.544 |
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| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
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| SMILES | c1ccc2c(c1)CCNC2 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX4900000
- CHEMICAL NAME :
- Isoquinoline, 1,2,3,4-tetrahydro-
- CAS REGISTRY NUMBER :
- 91-21-4
- BEILSTEIN REFERENCE NO. :
- 0116156
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H11-N
- MOLECULAR WEIGHT :
- 133.21
- WISWESSER LINE NOTATION :
- T66 CMT&J
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 240 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - central sympatholytic
- REFERENCE :
- 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,244,1948
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| WGK Germany | 3 |
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| RTECS | NX4900000 |
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| HS Code | 2933499090 |
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Customs
| HS Code | 2933499090 |
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| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Isoquinoline, 1,2,3,4-tetrahydro- |
| tetrahydroisoquinoline |
| 1,2,3,4-Tetrahydroisoquinoline |
| EINECS 202-050-0 |
| MFCD00006896 |
