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1-Phenyl-2-pyrrolidinone

1-Phenyl-2-pyrrolidinone structure

CAS No:
4641-57-0
Formula:
C10H11NO
Chemical Name:
1-Phenyl-2-pyrrolidinone
Synonyms:
2-Pyrrolidinone,1-phenyl-;1-Phenyl-2-pyrrolidinone;N-Phenyl-2-pyrrolidone;N-Phenyl-2-pyrrolidinone;1-Phenyl-2-pyrrolidone;N-Phenylbutyrolactam;NSC 25325
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light Beige Solid

1-Phenyl-2-pyrrolidinone Basic Attributes

Molecular Weight：

161.2

Exact Mass：

161.20

EC Number：

225-069-6

UNII：

V8JL6C4DFL

NSC Number：

25325

DSSTox ID：

DTXSID60196837

HScode：

2933790090

Characteristics

PSA：

20.3

XLogP3：

1.3

Appearance：

white crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

68-69 °C

Boiling Point：

130-140 °C @ Press: 1 Torr

Flash Point：

174.7±10.5 °C

Refractive Index：

1.578

Water Solubility：

Soluble in chloroform and ethyl Acetate. Insoluble in water.

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

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 72 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:161.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:20.3
Heavy Atom Count:12
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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