CAS 238-84-6 1,2-Benzofluorene - Materials / Alfa Chemistry

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1,2-Benzofluorene

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Catalog Number

ACM238846

Product Name

1,2-Benzofluorene

Structure

CAS

238-84-6

Category

Small Molecule Semiconductor Building Blocks

Description

COLOURLESS PLATE-LIKE CRYSTALS.

IUPAC Name

11H-benzo[a]fluorene

Molecular Weight

216.28g/mol

Molecular Formula

C17H12;C17H12

Canonical SMILES

C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3

InChI

InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2

InChI Key

HKMTVMBEALTRRR-UHFFFAOYSA-N

Boiling Point

405.0 °C;405 °C;399 °C

Melting Point

189.5 °C;189.6 °C;189 °C

Solubility

2.10e-07 M;In water, 0.045 mg/L at 25 °C;Slightly soluble in ethanol; soluble in ether, benzene, chloroform;Solubility in water: very poor

Color/Form

White or off-white powder;Platelets from acetone or acetic acid;Colorless plate like crystals;Beige powder[Sigma-Aldrich; Product Information for 11H-Benzo

Complexity

282

Covalently-Bonded Unit Count

EC Number

205-944-9;250-335-3

Exact Mass

216.0939g/mol

Formal Charge

Heat of Vaporization

Enthalpy of vaporization: 83.7 kJ/mol at 398 K

Heavy Atom Count

ICSC Number

1453

Log P

5.4 (LogP);log Kow = 5.68;5.32

MeSH Entry Terms

1,2-benzofluorene;11H-benzo(a)fluorene;alpha-naphthofluorene;benzo(a)fluorene;chrysofluorene

Monoisotopic Mass

216.0939g/mol

NSC Number

89262

Other Experimental

Enthalpy of sublimation: 105.4 kJ/mol at 383 K; Enthalpy of fusion: 18.4 kJ/mol at 462.8 K;Henry's Law constant = 1.54X10-6 atm-cu m/mole at 25 °C (estimated from vapor pressure and water solubility);Hydroxyl radical reaction rate constant = 4.7X10-11 cu-cm/molc sec at 25 °C

Rotatable Bond Count

Stability

Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 11H-Benzo

UNII

65EP6ZT62K

Vapor Pressure

2.43e-07 mmHg;2.43X10-7 mm Hg at 25 °C

XLogP3

5.7

MSDS

Download MSDS

COA