Home > Compound List > Compound details
208-96-8 molecular structure
click picture or here to close

acenaphthylene

ChemBase ID: 107914
Molecular Formular: C12H8
Molecular Mass: 152.19192
Monoisotopic Mass: 152.06260026
SMILES and InChIs

SMILES:
c1cc2c3c(C=Cc3ccc2)c1
Canonical SMILES:
c1cc2cccc3c2c(c1)C=C3
InChI:
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChIKey:
HXGDTGSAIMULJN-UHFFFAOYSA-N

Cite this record

CBID:107914 http://www.chembase.cn/molecule-107914.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
acenaphthylene
IUPAC Traditional name
acenaphthylene
Synonyms
Acenaphthylene solution
Acenaphthylene
Cycopenta(de)naphthalene
Acenaphthalene
ACENAPHTHYLENE
Cyclopenta[de]naphthalene
NSC 59821
Acenaphthyene
aceNaphthalene
苊烯 溶液
苊烯
CAS Number
208-96-8
EC Number
203-806-2
200-659-6
205-917-1
MDL Number
MFCD00003806
Beilstein Number
774092
PubChem SID
162095076
24891309
24864948
24865923
24872113
24862993
PubChem CID
9161
CHEBI ID
33081
Chemspider ID
8807
Unique Ingredient Identifier
1Z25C36811
Wikipedia Title
Acenaphthylene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3293178  LogD (pH = 7.4) 3.3293178 
Log P 3.3293178  Molar Refractivity 51.905 cm3
Polarizability 20.9428 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
soluble in chloroform expand Show data source
very soluble in benzene expand Show data source
very soluble in diethyl ether expand Show data source
very soluble in ethanol expand Show data source
Apperance
Yellow crystals expand Show data source
Melting Point
78-82 °C(lit.) expand Show data source
91.8°C expand Show data source
92-93°C expand Show data source
Boiling Point
265-275°C expand Show data source
280 °C(lit.) expand Show data source
280°C expand Show data source
Flash Point
-.4 °F expand Show data source
?°C expand Show data source
122 °C expand Show data source
-18 °C expand Show data source
251.6 °F expand Show data source
Density
0.8987 g cm-3 expand Show data source
0.899 g/mL at 25 °C(lit.) expand Show data source
RTECS
AB1254000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1145 expand Show data source
1230 expand Show data source
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
9 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
11-23/24/25-39/23/24/25 expand Show data source
11-38-50/53-65-67 expand Show data source
22-36/37/38 expand Show data source
R:45-36/37/38-58 expand Show data source
R22 R36 R37 R38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
7-16-36/37-45 expand Show data source
9-16-25-33-60-61-62 expand Show data source
S:28-29-36/37/39-45-53-61 expand Show data source
S26 S36 S37 S39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H410 expand Show data source
H301-H311-H331-H370 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P273-P301 + P310-P331-P501 expand Show data source
P260-P280-P301 + P310-P311 expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1145 3/PG 2 expand Show data source
UN 1230 3/PG 2 expand Show data source
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~80% (GC) expand Show data source
≥99% expand Show data source
75% expand Show data source
95+% expand Show data source
97% expand Show data source
Concentration
100 ng/μL in cyclohexane expand Show data source
5000 μg/mL in methanol expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1 mL expand Show data source
ampule of 100 mg expand Show data source
Impurities
20% acenaphthene expand Show data source
Empirical Formula (Hill Notation)
C12H8 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05205457 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A805 external link
Packaging
5, 100 g in glass bottle
Sigma Aldrich - 416703 external link
Packaging
100 mg in glass bottle
Toronto Research Chemicals - A130750 external link
Polycyclic aromatic hydrocarbons as carcinogenic agents.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hansen, B., et al.: Environ. Toxicol. Chem., 18, 772 (1999)
  • • Czub, G., et al.: Environ. Sci. Technol., 38, 2406 (1999)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle