-
Name
PR-F-36Cl
- EINECS
- CAS No. 27683-73-4
- Density g/cm3
- Solubility
- Melting Point 224-227 °C
- Formula C15H16 Cl N O . Cl H
- Boiling Point 396°Cat760mmHg
- Molecular Weight 298.212
- Flash Point 193.3°C
- Transport Information
- Appearance
- Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and Cl−.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzhydrol,4'-chloro-2-[(methylamino)methyl]-, hydrochloride (8CI); 4-Chloro-2'-[(methylamino)methyl]benzhydrolhydrochloride; NSC 170954; PR-F 36Cl
- PSA 32.26000
- LogP 4.33400
Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride Chemical Properties
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IUPAC: (4-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol hydrochloride
Molecular Formula: C15H17Cl2NO
Molecular Weight: 298.207580 g/mol
Canonical SMILES: CNCC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)O.Cl
InChI: InChI=1S/C15H16ClNO.ClH/c1-17-10-12-4-2-3-5-14(12)15(18)11-6-8-13(16)9-7-11;/h2-9,15,17-18H,10H2,1H3;1H
H-Bond Donor: 3
H-Bond Acceptor: 2
Freely Rotating Bonds: 5
Rotatable Bond Count: 4
Exact Mass: 297.06872
MonoIsotopic Mass: 297.06872
Topological Polar Surface Area: 32.3
Heavy Atom Count: 19
Complexity: 241
Classification Code: Drug / Therapeutic Agent
Flash Point: 193.3 °C
Enthalpy of Vaporization: 68.16 kJ/mol
Boiling Point: 396 °C at 760 mmHg
Vapour Pressure of Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride (CAS NO.27683-73-4): 5.54E-07 mmHg at 25 °C
Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 54mg/kg (54mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| mouse | LD50 | intravenous | 53mg/kg (53mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| mouse | LD50 | oral | 230mg/kg (230mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| mouse | LD50 | subcutaneous | 83mg/kg (83mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| rat | LD50 | intraperitoneal | 115mg/kg (115mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| rat | LD50 | oral | 560mg/kg (560mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
| rat | LD50 | subcutaneous | 328mg/kg (328mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 211, Pg. 253, 1974. |
Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride (CASNO.27683-73-4)emits toxic fumes of NOx and Cl−.
Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride Specification
Benzhydrol, 4'-chloro-2-((methylamino)methyl)-, hydrochloride (CASNO.27683-73-4) can be called 4'-Chloro-2-((methylamino)methyl)benzhydrol hydrochloride ; 4-Chlor-2-((methylamino)-methyl)-benzhydrol-hydrochlorid ; 4-Chlor-2-((methylamino)-methyl)-benzhydrol-hydrochlorid ; Setazindol HCl ; Setazindol hydrochloride ; PR-F 36 Cl ; PR-F 36Cl and so on.
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