CAS No.1210-34-0,DIBENZOSUBEROL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1210-34-0
Name:	DIBENZOSUBEROL
Article Data:	27

Formula:	C₁₅H₁₄O
Molecular Weight:	210.276
Synonyms:	10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ol;5-Hydroxy-10,11-dihydro-5H-dibenzo[a,d]cycloheptene;Dibenzosuberol;NSC 86157;10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ol;Dibenzo(b,f)cycloheptan-1-ol;5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-;10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ol;
EINECS:	214-911-8
Density:	1.163 g/cm³
Melting Point:	90-95 °C
Boiling Point:	365.5 °C at 760 mmHg
Flash Point:	135.6 °C
Appearance:	white fluffy powder
Safety:	24/25
PSA:	20.23000
LogP:	2.86690

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Specification

The CAS registry number of 5H-Dibenzo[a,d]cyclohepten-5-ol,10,11-dihydro- is 1210-34-0. The IUPAC name is 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol. Its EINECS registry number is 214-911-8. In addition, the formula is C₁₅H₁₄O and the molecular weight is 210.27. What's more, it is a kind of white fluffy powder.

Physical properties about this chemical are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.11; (6)ACD/BCF (pH 7.4): 218.11; (7)ACD/KOC (pH 5.5): 1642.96; (8)ACD/KOC (pH 7.4): 1642.96; (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: 1.633; (14)Molar Refractivity: 64.6 cm³; (15)Molar Volume: 180.7 cm³; (16)Polarizability: 25.61 ×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 64.55 kJ/mol; (21)Boiling Point: 365.5 °C at 760 mmHg; (22)Vapour Pressure: 5.51E-06 mmHg at 25°C.

Uses of 5H-Dibenzo[a,d]cyclohepten-5-ol,10,11-dihydro-: it can be used to get 5-chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. This reaction will need reagents CaCl₂ and HCl and solvent benzene. The reaction time is 2.5 hours and the yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OC3c1ccccc1CCc2c3cccc2
(2)InChI: InChI=1/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
(3)InChIKey: POAVRNPUPPJLKZ-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02172