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Pyrene

Pyrene structure

CAS No:
129-00-0
Formula:
C16H10
Chemical Name:
Pyrene
Synonyms:
Pyrene;Benzo[def]phenanthrene;NSC 17534;NSC 66449;76165-23-6
Categories:
Analytical Chemistry > Standard

Description

It appears as light yellow monoclinic crystal. It is insoluble in water, easily soluble in ether, carbon disulfide, benzene and toluene. pale yellow to yellow-greenish crystals or chunks Pyrene is a colorless crystalline solid when pure or pale yellow plates (impure). Polycyclic aromatic hydrocarbons (PAHs) are compounds containing multiple benzene rings and are also called polynuclear aromatic hydrocarbons. Solids and solutions have a Blue fluores- cence (Merck Index).A condensed ring h

Pyrene Basic Attributes

Molecular Weight：

202.25

Exact Mass：

202.25

BRN：

1307225

EC Number：

204-927-3

HScode：

29349990

Characteristics

PSA：

XLogP3：

4.88

Appearance：

Pale yellow to yellow-greenish crystalline

Density：

1.271 g/cm³ @ Temp: 23 °C

Melting Point：

151.2 °C

Boiling Point：

404 °C @ Press: 760 Torr

Flash Point：

210 °C

Refractive Index：

1.8520 (estimate)

Water Solubility：

H2O: almost insoluble ;ethanol: soluble

Storage Conditions：

APPROX 4°C

Vapor Pressure：

Vapour pressure, Pa at ?°C: 0.08

Toxicity：

LD50 orally in Rabbit: 2700 mg/kg

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

50/53-36/37/38-26-39/23/24/25-23/24/25-11-63-43-45-67-65-38-51/53-52/53-40

safety instructions：

60-61-45-36/37-28A-22-16-7-24/25-23-53-62-26

RTECS Number：

UR2450000

Marks：

N,T+,T,F,Xn

Storage features：

Separated from strong oxidants. Keep in a well-ventilated room.

Stability/Shelf Life：

Stable under recommended storage conditions.

Precautionary statement(s)：

P201-P273-P308 + P313-P391-P501

Hazard Statements：

H341-H372-H410

Pyrene Use and Manufacturing

Methods of Manufacturing

Pyrene is mainly present in the distillate of coal tar pitch. Distill the medium-temperature asphalt under reduced pressure, while passing a small amount of directly superheated steam to the distillation kettle, cut the narrow fraction of pyrene, and then recrystallize it with the mixed solution of solvent oil and ethanol, or the mixed solution of benzene and solvent oil to obtain 95% purity Industrial pyrene.

Uses

Pyrene occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal. Found in wastewater in aquatic environments, and possesses genotoxic characteristics relating to estrogenic/androgenic, antiestrogenic and antiandrogenic activity.

Computed Properties

Molecular Weight:202.25
XLogP3:4.9
Exact Mass:202.078250319
Monoisotopic Mass:202.078250319
Heavy Atom Count:16
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutyraldehyde

Asphalt

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