CAS No.129-00-0,Pyrene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	129-00-0
Name:	Pyrene
Article Data:	213

Formula:	C₁₆H₁₀
Molecular Weight:	202.255
Synonyms:	Benzo[def]phenanthrene;b-Pyrene;AI3-23977;CCRIS 1256;NSC 17534;
EINECS:	204-927-3
Density:	1.248 g/cm³
Melting Point:	148 °C
Boiling Point:	404 °C at 760 mmHg
Flash Point:	168.8 °C
Solubility:	almost insoluble in water
Appearance:	Yellow green crystal
Hazard Symbols:	T+,N
Risk Codes:	26-36/37/38-50/53
Safety:	22-28A-36/37-45-60-61
Transport Information:	UN 3077 9/PG 3
PSA:	0.00000
LogP:	4.58400

Synthetic route

: 69320-05-4
4-ethynyl-phenanthrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
at 800℃; under 0.01 Torr; Product distribution; other temperatures;	100%

: 781-17-9
4,5,9,10-tetrahydropyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 4h; Heating;	98%
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 48h; Ambient temperature;	80%
With triphenylmethyl perchlorate; acetic acid

: 1714-29-0
1-bromopyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With triethylamine In methanol; water at 4℃; for 0.25h; Irradiation; sensitizer: methylene blue;	98%
With tetraethylammonium perchlorate; triethylamine In ethanol; dimethyl sulfoxide at 20℃; for 12h; Electrolysis; Green chemistry;	92%
With tetrabutylammonium perchlorate In N,N-dimethyl-formamide at 22℃; Mechanism; electroreduction at Hg electrode, Pt counter electrode, current oscillations, other temperatures;
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 3 h / -78 °C 1.2: -78 - 20 °C 1.3: 1 h 2.1: caesium carbonate / 1-methyl-pyrrolidin-2-one; water / 10 h / 100 °C View Scheme

: 8-methoxy[2.2]metaparacyclophane-1,9-diene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 0℃; for 0.0166667h;	95%

: 3029-19-4
pyrene-1-aldehyde

: 129-00-0
pyrene

Conditions

Conditions	Yield
With palladium diacetate In cyclohexane at 140℃; for 24h; Molecular sieve; air;	95%
With palladium diacetate; potassium carbonate In ethyl acetate at 150℃; under 12929 Torr; for 0.833333h; Microwave irradiation; Molecular sieve;	95%

: 1-pyrenediazonium tetrafluoroborate

: 129-00-0
pyrene

Conditions

Conditions	Yield
With chloro-trimethyl-silane In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 1h;	91%

: 24300-91-2
2,7-di-tertbutylpyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With Nafion-H In toluene for 24h; Heating;	90%

: C17H15S2(1+)*BF4(1-)

: 129-00-0
pyrene

Conditions

Conditions	Yield
With potassium tert-butylate at -80℃;	90%
With potassium tert-butylate at -80℃; Mechanism; reaction with other sulfonium salt was investigated;	90%

: 24463-15-8
1-pyrenemethanol

: 129-00-0
pyrene

Conditions

Conditions	Yield
With oxygen; palladium diacetate; sodium carbonate at 130℃; for 36h; Molecular sieve; Schlenk technique;	88%

: 1732-26-9
4-bromopyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With 4-methyl-morpholine; tetrahydroxydiboron; 5%-palladium/activated carbon In 1,2-dichloro-ethane at 50℃; for 3h;	86%

Raw Materials

74-86-2

81-29-8

151-50-8

Downstream Products

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Chemistry

Molecular Structure of Pyrene (CAS NO.135-48-8):

IUPAC Name: pyrene
Molecular Formula: C₁₆H₁₀
Molecular Weight: 202.25
EINECS: 204-927-3
Melting point: 148 °C
Storage temp: Approx 4°C
Form: crystalline
Water Solubility: almost insoluble
Merck: 14,7963
BRN: 1307225
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å²
Index of Refraction: 1.851
Molar Refractivity: 72.46 cm³
Molar Volume: 161.9 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.248 g/cm³
Flash Point: 168.8 °C
Enthalpy of Vaporization: 62.99 kJ/mol
Boiling Point: 404 °C at 760 mmHg
Vapour Pressure: 2.28E-06 mmHg at 25°C
InChI
InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
Smiles
c12c3c4ccc1cccc2ccc3ccc4
Product Categories: Aromatic Compounds; Organics; Pyrenes

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	514mg/kg (514mg/kg)		Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
mouse	LD50	oral	800mg/kg (800mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat	LC50	inhalation	170mg/m³(170mg/m³)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat	LD50	oral	2700mg/kg (2700mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal No Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 ,1983,p. 431.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Poison by inhalation. Moderately toxic by ingestion and intraperitoneal routes. A skin irritant. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Dangerous N, Very T+, Toxic T, Flammable F, Harmful Xn
Risk Statements: 50/53-36/37/38-26-39/23/24/25-23/24/25-11-63-43-45-67-65-38
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38: Irritating to eyes, respiratory system and skin.
R26: Very toxic by inhalation.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R11: Highly flammable.
R63: Possible risk of harm to the unborn child.
R43: May cause sensitization by skin contact.
R45: May cause cancer.
R67: Vapours may cause drowsiness and dizziness.
R65: Harmful: may cause lung damage if swallowed.
R38: Irritating to skin.
Safety Statements: 60-61-45-36/37-28A-22-16-7-24/25-23-53-62
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.
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.
S22: Do not breathe dust.
S16: Keep away from sources of ignition.
S7: Keep container tightly closed.
S24/25: Avoid contact with skin and eyes.
S23: Do not breathe vapour.
S53: Avoid exposure - obtain special instructions before use.
S62: If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: UR2450000
HazardClass: 6.1(b)
PackingGroup: III

Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m³

Analytical Methods

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

Specification

Pyrene , with CAS number of 135-48-8, can be called beta-Pyrene ; Benzo(def)phenanthrene . It is a pale yellow to yellow-greenish crystals or chunks. Pyrene (CAS NO.135-48-8) is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings. It has some synonyms like Benzo[def]phenanthrene;coaltarpitchvolatiles;beta-Pyrene,and so on.It's colourless solid. Pyrene is usually used to produce raw materials of 1,4,5,8 - naphthalene acid ,and it's also used as materials of dyes, synthetic resins and plastics.