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9,10-DIHYDROPHENANTHRENE structure
9,10-DIHYDROPHENANTHRENE structure

9,10-DIHYDROPHENANTHRENE

Iupac Name:9,10-dihydrophenanthrene
CAS No.: 776-35-2
Molecular Weight:180.24508
Modify Date.: 2022-11-06 06:22
Introduction: clear colorless to yellow liquid View more+
1. Names and Identifiers
1.1 Name
9,10-DIHYDROPHENANTHRENE
1.2 Synonyms

NSC 60018 Phenanthrene, 9,10-dihydro-

1.3 CAS No.
776-35-2
1.4 CID
13058
1.5 EINECS(EC#)
212-278-2
1.6 Molecular Formula
C14H12 (isomer)
1.7 Inchi
InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
1.8 InChkey
XXPBFNVKTVJZKF-UHFFFAOYSA-N
1.9 Canonical Smiles
C1CC2=CC=CC=C2C3=CC=CC=C31
1.10 Isomers Smiles
C1CC2=CC=CC=C2C3=CC=CC=C31
2. Properties
3.1 Density
1.085
3.1 Melting point
30-35 °C(lit.)
3.1 Boiling point
307.8 °C at 760 mmHg
3.1 Refractive index
1.642-1.644
3.1 Flash Point
144.1 °C
3.1 PSA
0.00000
3.1 logP
3.45220
3.1 Solubility
2.32e-05 M
3.2 Appearance
dark brown crystals
3.3 Chemical Properties
clear colorless to yellow liquid 9,10-DIHYDROPHENANTHRENESupplier
3.4 Water Solubility
2.32e-05 M
3.5 StorageTemp
Refrigerator
3. Safety and Handling
4.1 Safety Statements
S22;S24/25
4.1 WGK Germany
3
4.1 Safety

Safety Statements: 22-24/25 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3

6. Computational chemical data
  • Molecular Weight: 180.24508g/mol
  • Molecular Formula: C14H12
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 180.093900383
  • Monoisotopic Mass: 180.093900383
  • Complexity: 174
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGAAAAAAADACAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAAAAAAQAACAAAQAACAAAAAAAAAAAA==
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