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Anthracene

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Name

Anthracene

EINECS 204-371-1
CAS No. 120-12-7 Density 1.13 g/cm3
PSA 0.00000 LogP 3.99300
Solubility water: 0.045 mg/L (25 °C) Melting Point 215-218 °C
Formula C14H10 Boiling Point 337.355 °C at 760 mmHg
Molecular Weight 178.233 Flash Point 146.606 °C
Transport Information UN 3077 9/PG 3 Appearance colourless crystalline solid
Safety 26-60-61-24/25-16-9-45-36/37-62-36 Risk Codes 36/37/38-50/53-67-36-11-39/23/24/25-23/24/25-65-38
Molecular Structure Molecular Structure of 120-12-7 (Anthracene) Hazard Symbols IrritantXi,DangerousN,FlammableF
Synonyms

Green Oil;Anthracene, pure;Tetra Olive N2G;Coal tar pitch volatiles: anthracene;Anthracin;Anthracene oil (coal tar fraction);Anthracene (C14H10);Bis-alkylamino anthracene;Paranaphthalene;

Article Data 897

Anthracene Synthetic route

125459-20-3

1,2,3,4-tetrahydroxy-1β,2α,3α,4β,4aβ,9α,9aβ,10α-hexahydro-9,10<1',2'>benzenoanthracene

A

120-12-7

anthracene

Conditions
ConditionsYield
at 460℃; under 0.1 Torr; for 0.5h;A 100%
B 100%
125459-21-4, 127761-11-9

2,3-dihydroxy-1,4-dimethoxy-1β,2α, 3α,4β,4aβ,9α,9aβ,10α-octahydro-9,10<1',2'>benzenoanthracene

A

120-12-7

anthracene

B

125459-24-7

<1α,2α,3β,6β>-3,6-dimethoxycyclohex-4-ene-1,2-diol

Conditions
ConditionsYield
at 440℃; under 0.05 Torr; for 2h;A 100%
B 99%
59102-56-6

C15H12S

A

865-36-1

thioformaldehyde

B

120-12-7

anthracene

C

CS2, H2S

CS2, H2S

Conditions
ConditionsYield
at 651.9℃; under 1E-06 Torr; sublimation through a short path flash vacuum pyrolysis (fvp) oven;A n/a
B 100%
C n/a
59102-57-7

C15H12OS

A

40100-16-1

sulfinylmethane

B

120-12-7

anthracene

C

SO2

SO2

Conditions
ConditionsYield
at 651.9℃; under 1E-06 Torr; sublimation through a short path flash vacuum pyrolysis (fvp) oven;A n/a
B 100%
C n/a

C20H18O2

A

53720-71-1

3,7-dioxabicyclo[3.3.0]oct-1,5-ene

B

120-12-7

anthracene

Conditions
ConditionsYield
at 600℃; under 0.06 Torr;A n/a
B 100%
32832-95-4

2-benzylbenzaldehyde

120-12-7

anthracene

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; toluene-4-sulfonamide In toluene at 20℃; for 0.166667h;100%
With boron trifluoride diethyl etherate; toluene-4-sulfonamide In toluene at 20℃; for 0.166667h;99%
With indium(III) triflate In 1,2-dichloro-ethane at 115℃; for 6h; Inert atmosphere;94%
129823-92-3

C14H10Yb

120-12-7

anthracene

Conditions
ConditionsYield
With oxygen In 1,2-dimethoxyethane addn. of dry oxygen to a suspension of Yb complex;100%

C14H10Sm

120-12-7

anthracene

Conditions
ConditionsYield
With oxygen In 1,2-dimethoxyethane addn. of dry oxygen to a suspension of Sm complex;100%
613-31-0

9,10-dihydroanthracene

120-12-7

anthracene

Conditions
ConditionsYield
With sulfuric acid; dinitrogen monoxide; Ru(5,10,15,20-tetramesitylporphyrin)(O)2 In benzene at 120℃; under 7600 Torr; for 4h;99%
With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite In toluene at 120℃; under 9750.98 Torr; for 8h;99%
With C64H50F8N6Ru In dichloromethane-d2 at 20℃; Reagent/catalyst; Schlenk technique; Inert atmosphere;99%
716-53-0

9-chloroanthracene

120-12-7

anthracene

Conditions
ConditionsYield
With SmI2(hmpa)4 In tetrahydrofuran at 20℃; for 0.0166667h;99%
With potassium tert-butylate; N,N-dimethyl-formamide at 35℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;70%
With triethylamine In acetonitrile Product distribution; Quantum yield; Mechanism; Ambient temperature; Irradiation; quenching rate constants by azulene, ferrocene, and amines, decay rate constants of the radical anion;
With tetraethylammonium perchlorate In acetonitrile at 24.99℃; Electrochemical reaction;

Anthracene Chemical Properties

The Molecular Structure of Anthracene (CAS NO.120-12-7):

Empirical Formula: C14H10
Molecular Weight: 178.2292
Nominal Mass: 178 Da
Average Mass: 178.2292 Da
Monoisotopic Mass: 178.07825 Da 
Index of Refraction: 1.714
Molar Refractivity: 61.93 cm3
Molar Volume: 157.6 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.13 g/cm3
Flash Point: 146.6 °C
Enthalpy of Vaporization: 55.76 kJ/mol
Boiling Point: 337.4 °C at 760 mmHg
Vapour Pressure: 0.000206 mmHg at 25°C 
Appearance:  Colourless Crystalline Solid
IUPAC Name:  anthracene 
Product Categories: Pharmaceutical Intermediates;Aromatic Compounds;Aromatics Compounds;Anthracenes;Highly Purified Reagents;Other Categories;Zone Refined Products;Aromatics;AM to AQAnalytical Standards;AromaticsChemical Class;Chemical Class;Hydrocarbons;NeatsAnalytical Standards;PAHs;ArenesEssential Chemicals;Reagent Plus;Routine Reagents;Arenes;Building Blocks;Organic Building Blocks;A;A-BAlphabetic;Alpha Sort;AM to AQ;Volatiles/ Semivolatiles;ArenesOrganic Electronics and Photonics;Light Emitters and Dopants;OLED and PLED Materials;DetectionSpectroscopy;Biochemicals and Reagents;Fluorescence/Luminescence;Fluorescent Probes, Labels, Particles and Stains;Luminescent Compounds/Detection;Scintillation reagents;Scintillation ReagentsBiochemicals and Reagents 
Synonyms: Anthracene ; AI3-00155 ; ANTHRACENE ; Anthracen ; Anthracen [German] ; Bis-alkylamino anthracene ; CCRIS 767 ; EINECS 204-371-1 ; Green Oil ; HSDB 702 ; Paranaphthalene ; Tetra Olive N2G ; Anthracene ; Anthracene, pure ; Anthracene ; Anthracene oil (coal tar fraction) ; Coal tar pitch volatiles: anthracene     

Anthracene Uses

1. Anthracene (CAS NO.120-12-7) is used in the artificial production of the red dye alizarin. It is also used in wood preservatives, insecticides, and coating materials.
2. Anthracene (CAS NO.120-12-7) is an organic semiconductor. It is used as a scintillator for detectors of high energy photons, electrons and alpha particles. Plastics such as polyvinyltoluene can be doped with anthracene to produce a plastic scintillator that is approximately water equivalent for use in radiation therapy dosimetry.

Anthracene Toxicity Data With Reference

1.    

skn-mus 118 µg MLD

    CALEDQ    Cancer Letters (Shannon, Ireland). 4 (1978),333.
2.    

mma-sat 100 µg/plate ABCHA6 43,1433,79

3.    

dns-hmn:fbr 10 mg/L

    CNREA8    Cancer Research. 38 (1978),2091.
4.    

hma-mus/sat 125 mg/kg

    JNCIAM    Journal of the National Cancer Institute. 62 (1979),911.
5.    

dnd-mam:lym 100 µmol

    BIPMAA    Biopolymers. 9 (1970),689.
6.    

orl-mus LD:>17 g/kg

    GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 13 (5)(1969),59.
7.    

ipr-mus LD50:430 mg/kg

    PMRSDJ    Progress in Mutation Research. 1 (1981),682.

Anthracene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 105 ; Human No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 105 . Reported in EPA TSCA Inventory. Community Right-To-Know List.

Anthracene Safety Profile

Hazard Codes: IrritantXiHarmfulXnFlammableFToxicTDangerousN
Risk Statements: 36/37/38-50/53-67-36-11-39/23/24/25-23/24/25-65-38 
R36/37/38: Irritating to eyes, respiratory system and skin
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R67: Vapours may cause drowsiness and dizziness
R36: Irritating to eyes
R11: Highly flammable
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R65: Harmful: may cause lung damage if swallowed
R38: Irritating to skin
Safety Statements: 26-60-61-24/25-16-9-45-36/37-62-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S60: This material and its container must be disposed of as hazardous waste
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
S24/25: Avoid contact with skin and eyes
S16: Keep away from sources of ignition
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37: Wear suitable protective clothing and gloves
S62: If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label
S36: Wear suitable protective clothing
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
HS Code: 29029010
Moderately toxic by intraperitoneal route. A skin irritant and allergen. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Combustible when exposed to heat, flame, or oxidizing materials. Moderately explosive when exposed to flame, Ca(OCl)2, chromic acid. To fight fire, use water, foam, CO2, water spray or mist, dry chemical. Explodes on contact with fluorine.

Anthracene Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m3

Anthracene Analytical Methods

For occupational chemical analysis use OSHA: #ID-58 or NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Anthracene Specification

1. Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
2. Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation. 
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.

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