CAS No.243-42-5,Benzo[b]naphtho[2,3-d]furan Suppliers

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Basic Information

Molecular Structure:
CAS No.:	243-42-5
Name:	Benzo[b]naphtho[2,3-d]furan
Article Data:	29

Formula:	C₁₆H₁₀O
Molecular Weight:	218.255
Synonyms:	Benzo[b]diphenyleneoxide;NSC 59787;b-Brazan;
EINECS:	205-955-9
Density:	1.25 g/cm³
Melting Point:	202-207 °C
Boiling Point:	394.1 °C at 760 mmHg
Flash Point:	208.3 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	36/37
PSA:	13.14000
LogP:	4.73920

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Specification

The Benzo[b]naphtho[2,3-d]furan, with the CAS registry number 243-42-5, is also known as NSC 59787. It belongs to the product category of Furan & Benzofuran. Its EINECS registry number is 205-955-9. This chemical's molecular formula is C₁₆H₁₀O and molecular weight is 218.25. Its IUPAC name is called naphtho[2,3-b][1]benzofuran.

Physical properties of Benzo[b]naphtho[2,3-d]furan: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6863.26; (6)ACD/BCF (pH 7.4): 6863.26; (7)ACD/KOC (pH 5.5): 19399.02; (8)ACD/KOC (pH 7.4): 19399.02; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.763; (11)Molar Refractivity: 72.08 cm³; (12)Molar Volume: 174.5 cm³; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.25 g/cm³; (15)Flash Point: 208.3 °C; (16)Enthalpy of Vaporization: 61.89 kJ/mol; (17)Boiling Point: 394.1 °C at 760 mmHg; (18)Vapour Pressure: 4.62E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 5α,6,11,11α-tetrahydro-benzo[b]naphtho[2,3-d]furan. This reaction will need reagent S and solvent tetrahydrothiophene 1,1-dioxide. The reaction time is 1 hour. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It will be a limited evidence of a carcinogenic effect. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4O3
(2)InChI: InChI=1S/C16H10O/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H
(3)InChIKey: FTMRMQALUDDFQO-UHFFFAOYSA-N