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2-Cyclopentene-1,4-dione

2-Cyclopentene-1,4-dione structure

CAS No:
930-60-9
Formula:
C5H4O2
Chemical Name:
2-Cyclopentene-1,4-dione
Synonyms:
4-Cyclopentene-1,3-dione;Cyclopentenedione;Cyclopentene-3,5-dione;Cyclopentene-1,3-dione;2-Cyclopentene-1,4-dione;1-Cyclopentene-3,5-dione;NSC 155336;2-Cyclopenten-1,4-dione;Cyclopent-4-en-1,3-dione
Categories:
Specialty Chemicals

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2-Cyclopentene-1,4-dione Basic Attributes

Molecular Weight：

96.085

Exact Mass：

96.08

EC Number：

213-219-3

UNII：

P054EQ880I

NSC Number：

155336

DSSTox ID：

DTXSID80239235

HScode：

2914299000

Characteristics

PSA：

34.1

XLogP3：

-1.22

Density：

1.3±0.1 g/cm3

Melting Point：

37 °C

Boiling Point：

60 °C

Flash Point：

83.9±0.0 °C

Refractive Index：

1.523

Storage Conditions：

2-8ºC

Safety Information

Packing level：

III

Transport codes：

UN 1759

wgk germany：

hazard class code：

37-43-22

safety instructions：

23-36/37

Marks：

Xi: Irritant;Xn: Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H317

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-cyclopentene-1,3-dione

Computed Properties

Molecular Weight:96.08
Hydrogen Bond Acceptor Count:2
Exact Mass:96.021129366
Monoisotopic Mass:96.021129366
Topological Polar Surface Area:34.1
Heavy Atom Count:7
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes