Tetracene

Names

[ CAS No. ]:
92-24-0

[ Name ]:
Tetracene

[Synonym ]:
Tetracene
2,3-Benzanthracene
Naphthacene
MFCD00003702
EINECS 202-138-9

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
436.7±12.0 °C at 760 mmHg

[ Melting Point ]:
>300 °C(lit.)

[ Molecular Formula ]:
C₁₈H₁₂

[ Molecular Weight ]:
228.288

[ Flash Point ]:
209.1±13.7 °C

[ Exact Mass ]:
228.093903

[ LogP ]:
5.91

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.771

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QI7605000

CHEMICAL NAME :: Naphthacene

CAS REGISTRY NUMBER :: 92-24-0

LAST UPDATED :: 199706

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C18-H12

MOLECULAR WEIGHT :: 228.30

WISWESSER LINE NOTATION :: L E6 C666J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Rodent - rat Liver

DOSE/DURATION :: 500 umol/L

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T1255 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 32 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
N: Dangerous for the environment;

[ Risk Phrases ]:
R50/53

[ Safety Phrases ]:
S45-S36/37

[ RIDADR ]:
UN 3077 9/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
QI7605000

[ HS Code ]:
2902909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Tetracene
Benzyl
Tetrathianaphthacene
2-Naphthoic acid
ANTHRAQUINONE-2,3-DICARBOXYLIC ACID
5,12-Tetracenedione
6,13-Dihydro-6,13-[1,2]benzenopentacene

Customs

[ HS Code ]: 2902909090

[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

First-Principles Prediction of Enthalpies of Formation for Polycyclic Aromatic Hydrocarbons and Derivatives.

J. Phys. Chem. A 119 , 11329-65, (2015)

In this article, the first-principles prediction of enthalpies of formation is demonstrated for 669 polycyclic aromatic hydrocarbon (PAH) compounds and a number of related functionalized molecules. It...

Large surface relaxation in the organic semiconductor tetracene.

Nat. Commun. 5 , 5400, (2014)

Organic crystals are likely to have a large degree of structural relaxation near their surfaces because of the weak inter-molecular interactions. The design of organic field-effect transistors require...