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Pyrene

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Pyrene

EINECS 204-927-3
CAS No. 129-00-0 Density 1.248 g/cm3
Solubility almost insoluble in water Melting Point 148 °C
Formula C16H10 Boiling Point 404 °C at 760 mmHg
Molecular Weight 202.26 Flash Point 168.8 °C
Transport Information UN 3077 9/PG 3 Appearance Yellow green crystal
Safety 22-28A-36/37-45-60-61 Risk Codes 26-36/37/38-50/53
Molecular Structure Molecular Structure of 129-00-0 (Pyrene) Hazard Symbols VeryT+,DangerousN
Synonyms

Benzo[def]phenanthrene;b-Pyrene;AI3-23977;CCRIS 1256;NSC 17534;

 

Pyrene Chemical Properties

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

Pyrene 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.

Pyrene 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.

Pyrene 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: DangerousN,VeryT+,ToxicT,FlammableF,HarmfulXn
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

Pyrene Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m3

Pyrene Analytical Methods

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

Pyrene 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.

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