5H-Benzocyclohepten-5-ol,6,7,8,9-tetrahydro- supplier

Name
6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-OL
EINECS
CAS No. 35550-94-8
Article Data1
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point 101 °C
Formula C₁₁H₁₄O
Boiling Point 294.2 °C at 760 mmHg
Molecular Weight 162.232
Flash Point 108.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (RS)-1-Hydroxybenzosuberan;1-Hydroxy-benzosuberan;6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-ol;5-Hydroxy-6,7,8,9-tetrahydro-5H-benzocycloheptene;6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-ol;5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-;6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-ol;
PSA 20.23000
LogP 2.44640

5H-Benzocyclohepten-5-ol,6,7,8,9-tetrahydro- Specification

The 5H-Benzocyclohepten-5-ol,6,7,8,9-tetrahydro- with CAS registry number of 35550-94-8 is also called 5-Hydroxy-6,7,8,9-tetrahydro-5H-benzocycloheptene. The IUPAC name is 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol. In addition, the formula is C₁₁H₁₄O and the molecular weight is 162.23.

Physical properties about 5H-Benzocyclohepten-5-ol,6,7,8,9-tetrahydro- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.44; (6)ACD/BCF (pH 7.4): 57.44; (7)ACD/KOC (pH 5.5): 632.2; (8)ACD/KOC (pH 7.4): 632.2; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 49.24 cm³; (15)Molar Volume: 150.9 cm³; (16)Polarizability: 19.52 ×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 108.9 °C; (20)Enthalpy of Vaporization: 56.37 kJ/mol; (21)Boiling Point: 294.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000749 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2c1ccccc1CCCC2
(2)InChI: InChI=1/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2
(3)InChIKey: ZBNIQZCMPPVSKL-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2500mg/kg (2500mg/kg)		Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 1611, 1971.

Product Name

6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-OL

5H-Benzocyclohepten-5-ol,6,7,8,9-tetrahydro- Specification

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