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1-Hydroxypyrene

1-Hydroxypyrene structure

CAS No:
5315-79-7
Formula:
C16H10O
Chemical Name:
1-Hydroxypyrene
Synonyms:
1-Pyrenol;1-Hydroxypyrene;3-Hydroxypyrene;3-Pyrenol;NSC 30968
Categories:
Chemical Reagents > Organic Reagents

Description

1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].

Solid

1-Hydroxypyrene is a member of pyrenes.

1-Hydroxypyrene Basic Attributes

Molecular Weight：

218.25

Exact Mass：

218.25

EC Number：

1312995-182-4

UNII：

N2H6O5V707

NSC Number：

30968

DSSTox ID：

DTXSID1038298

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

4.6

Appearance：

Beige to brown Fine Needles or Powder

Density：

1.4±0.1 g/cm3

Melting Point：

180 °C

Boiling Point：

437.4°C at 760 mmHg

Flash Point：

213.0±12.0 °C

Refractive Index：

1.895

Storage Conditions：

Refrigerator

Vapor Pressure：

4.83e-09 mmHg

Collision Cross Section：

149.26 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|148 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

UR2845000

Marks：

Stability/Shelf Life：

May be Light Sensitive

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)

MeSH Entry Terms：

1-hydroxypyrene

1-Hydroxypyrene Use and Manufacturing

Found in humane urine after exposure to coal tar and a coal derived product

Computed Properties

Molecular Weight:218.25
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:218.073164938
Monoisotopic Mass:218.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:17
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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