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Phenalenone

Phenalenone structure

CAS No:
548-39-0
Formula:
C13H8O
Chemical Name:
Phenalenone
Synonyms:
1H-Phenalen-1-one;Phenalen-1-one;Perinaphthenone;Phenalenone;7-Perinaphthenone;Phenalone;1H-Benzonaphthen-1-one;NSC 150161
Categories:
Chemical Reagents > Organic Reagents

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Description

solid

Phenalenone Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.20

EC Number：

208-945-2

UNII：

EVU6EX9G8H

NSC Number：

150161

DSSTox ID：

DTXSID20203278

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

3.45

Appearance：

Yellow crystals

Density：

1.3±0.1 g/cm3

Melting Point：

154 °C

Boiling Point：

355.2±35.0 °C at 760 mmHg

Flash Point：

157.9±20.9 °C

Refractive Index：

1.716

Vapor Pressure：

6.80e-06 mmHg

Toxicity：

msc-hmn-lym 5400 mg/L MUREAV 371,123,1996

Collision Cross Section：

134.59 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|133 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

SF6122500

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

perinaphthenone

Phenalenone Use and Manufacturing

It is an important intermediate for medicine, dyes, functional polymers and organic photosensitive materials.

Computed Properties

Molecular Weight:180.20
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:180.057514874
Monoisotopic Mass:180.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Perinaphthenone

CAS No.: 548-39-0

Content: 99.00%

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