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| CAS No.: | 145-94-8 |
|---|---|
| Name: | 7-CHLORO-4-INDANOL |
| Molecular Structure: | |
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|
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| Formula: | C9H9 Cl O |
| Molecular Weight: | 168.63 |
| Synonyms: | 4-Indanol,7-chloro- (6CI,7CI,8CI); 7-Chloro-4-indanol; Chlorindanol; Clorindanol;Lanesta; NSC 158565 |
| Density: | 1.308g/cm3 |
| Melting Point: | 91-93° |
| Boiling Point: | 290°Cat760mmHg |
| Flash Point: | 129.2°C |
| Safety: | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 20.23000 |
| LogP: | 2.53430 |
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Chemistry
IUPAC Name: 7-chloro-2,3-dihydro-1H-inden-4-ol
Empirical Formula: C9H9ClO
Molecular Weight: 168.6202g/mol
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Tautomer Count: 6
Exact Mass: 168.034193
MonoIsotopic Mass: 168.034193
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Formal Charge: 0
Complexity: 149
Index of Refraction: 1.618
Molar Refractivity: 45.2 cm3
Molar Volume: 128.9 cm3
Polarizability: 17.92×10-24cm3
Surface Tension: 50.9 dyne/cm
Density: 1.308 g/cm3
Flash Point: 129.2 °C
Enthalpy of Vaporization: 55.06 kJ/mol
Boiling Point: 290 °C at 760 mmHg
Vapour Pressure: 0.00122 mmHg at 25°C
Canonical SMILES: C1CC2=C(C=CC(=C2C1)Cl)O
InChI: InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
InChIKey: ATAJVFBUUIBIEO-UHFFFAOYSA-N
Structure of Chlorindanol (CAS NO.145-94-8):
Toxicity Data With Reference
| 1. | orl-mus LD50:920 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 48 (1959),212. | ||
| 2. | ipr-mus LD50:96 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 48 (1959),212. | ||
| 3. | ivn-mus LD50:48 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 48 (1959),212. |
Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.
Specification
Chlorindanol , its cas register number is 145-94-8. It also can be called 1H-Inden-4-ol, 7-chloro-2,3-dihydro- ; 2,3-Dihydro-7-chloro-1H-inden-4-ol ; 4-06-00-03828 (Beilstein Handbook Reference) ; 4-Indanol, 7-chloro- ; 7-Chloro-2,3-dihydro-1H-inden-4-ol ; 7-Chloro-4-indanol ; BRN 1945696 ; Clorindanolum ; Lanesta ; NSC 158565 ; UNII-7902N03BH0 . It is moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. The storage environment of Chlorindanol (CAS NO.145-94-8) should be ventilate, low-temperature and dry.