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4002-76-0

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Basic Information
CAS No.: 4002-76-0
Name: Dibenz[a,h]anthracen-5-ol
Article Data: 7
Molecular Structure:
Molecular Structure of 4002-76-0 (Dibenz[a,h]anthracen-5-ol)
Formula: C22H14O
Molecular Weight: 294.36
Synonyms: 5-(oder 6-)Hydroxy-dibenz-anthracen;5-Hydroxy-dibenz(a,h)anthracene;Dibenz(a,h)anthracen-5-ol;Dibenz(a,h)anthracene-5-ol;
Density: 1.312g/cm3
Melting Point: 263.5°C
Boiling Point: 581.7°Cat760mmHg
Flash Point: 276°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ANTHRACENE.
PSA: 20.23000
LogP: 6.00500
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Chemistry

 Molecule structure of Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0):

IUPAC Name: Naphtho[1,2-b]phenanthren-12-ol 
Molecular Weight: 294.34596 g/mol
Molecular Formula: C22H14O 
Density: 1.312 g/cm3 
Boiling Point: 581.7 °C at 760 mmHg 
Flash Point: 276 °C
Index of Refraction: 1.841
Molar Refractivity: 99.5 cm3
Molar Volume: 224.3 cm3
Polarizability: 39.44×10-24 cm3
Surface Tension: 65.2 dyne/cm 
Enthalpy of Vaporization: 90.2 kJ/mol
Vapour Pressure: 3.96E-14 mmHg at 25 °C
XLogP3: 6.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 294.104465
MonoIsotopic Mass: 294.104465
Topological Polar Surface Area: 20.2
Heavy Atom Count: 23
Complexity: 432
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C=C(C5=CC=CC=C54)O
InChI: InChI=1S/C22H14O/c23-22-13-16-12-20-15(10-9-14-5-1-2-6-17(14)20)11-21(16)18-7-3-4-8-19(18)22/h1-13,23H
InChIKey of Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0): BBWOMDVXOOZFBE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 3800 ng/plate

     MUREAV    Mutation Research. 96 (1982),1.
2.    

dnd-mus:oth 1 mg/L

     CBINA8    Chemico-Biological Interactions. 4 (1971/72),389.
3.    

otr-ham:emb 1 mg/L

     CNREA8    Cancer Research. 32 (1972),1391.
4.    

dnd-ham:kdy 5 mg/L

     BCPCA6    Biochemical Pharmacology. 20 (1971),1297.
5.    

dnd-ham:lng 1 mg/L

     CBINA8    Chemico-Biological Interactions. 4 (1971/72),389.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ANTHRACENE.

Specification

 Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0) is also named as 4-06-00-05139 (Beilstein Handbook Reference) ; 5-Hydroxy-dibenz(a,h)anthracene ; BRN 2287040 ; CCRIS 1075 ; 5-Hydroxydibenz(a,h)anthracene .