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2-Naphthalenol,1,1'-methylenebis- (1096-84-0)

Identification
Name:2-Naphthalenol,1,1'-methylenebis-
Synonyms:2-Naphthol,1,1'-methylenedi- (6CI,7CI,8CI); 1,1'-Methylenebis(2-naphthol);1,1'-Methylenedi-2-naphthol; 1,1'-Methylenedinaphthalen-2-ol;2,2'-Dihydroxy-1,1'-dinaphthylmethane; 2,2'-Dihydroxydi-1-naphthylmethane;2,2'-Dihydroxydinaphthylmethane; Bis(2-hydroxy-1-naphthyl)methane; NSC 402620;NSC 5992; Squoxin
CAS:1096-84-0
EINECS: 214-145-4
Molecular Formula: C21H16 O2
Molecular Weight: 300.3505
InChI: InChI=1/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
Molecular Structure: (C21H16O2) 2-Naphthol,1,1'-methylenedi- (6CI,7CI,8CI); 1,1'-Methylenebis(2-naphthol);1,1'-Methylenedi-2-naphtho...
Properties
Melting Point: 181-190 °C (dec.)(lit.)
Flash Point: 258.6°C
Boiling Point: 543.4°Cat760mmHg
Density:1.283g/cm3
Refractive index:1.746
Appearance:light pink to light brown crystalline powder
Specification:

The 2-Naphthalenol,1,1'-methylenebis-, with the cas registry number 1096-84-0, has the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol. This is a kind of light pink to light brown crystalline powder, with the product categories including Color Former & Related Compounds; Developer; Functional Materials; Alcohols; Monomers; Polymer Science. When using this chemical, avoid contacting with skin and eyes and do not breathe dust.

The characteristics of this chemical are as follows: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 5231.47; (6)ACD/BCF (pH 7.4): 5076.19; (7)ACD/KOC (pH 5.5): 15971.12; (8)ACD/KOC (pH 7.4): 15497.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 95.01 cm3; (15)Molar Volume: 233.9 cm3; (16)Polarizability: 37.66 ×10-24 cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 258.6 °C; (20)Enthalpy of Vaporization: 85.25 kJ/mol; (21)Boiling Point: 543.4 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-12 mmHg at 25°C; (23)Exact Mass: 300.11503; (24)MonoIsotopic Mass: 300.11503; (25)Topological Polar Surface Area: 40.5; (26)Heavy Atom Count: 23; (27)Formal Charge: 0; (28)Complexity: 359.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O
(2)InChI: InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
(3)InChIKey: ZPANWZBSGMDWON-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 381, 1978.

 

Flash Point: 258.6°C
Safety Data
 

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