Home > Compound List > Compound details
776-35-2 molecular structure
click picture or here to close

9,10-dihydrophenanthrene

ChemBase ID: 79652
Molecular Formular: C14H12
Molecular Mass: 180.24508
Monoisotopic Mass: 180.09390038
SMILES and InChIs

SMILES:
C1c2c(cccc2)c2ccccc2C1
Canonical SMILES:
c1ccc2c(c1)c1ccccc1CC2
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
InChIKey:
XXPBFNVKTVJZKF-UHFFFAOYSA-N

Cite this record

CBID:79652 http://www.chembase.cn/molecule-79652.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9,10-dihydrophenanthrene
IUPAC Traditional name
9,10-dihydrophenanthrene
Synonyms
9,10-dihydrophenanthrene
9,10-Dihydrophenanthrene
9,10-二氢菲
CAS Number
776-35-2
EC Number
212-278-2
MDL Number
MFCD00001164
Beilstein Number
1907655
PubChem SID
24863240
162044415
24893340
PubChem CID
13058

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13058 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 24.28826 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 4.183588  LogD (pH = 7.4) 4.183588 
Log P 4.183588  Molar Refractivity 59.4744 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30-35 °C expand Show data source
30-35 °C(lit.) expand Show data source
Boiling Point
168-169 °C/15 mmHg(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H400 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥90% (GC) expand Show data source
94% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C14H12 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D106003 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle