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1-Benzyl-2-pyrrolidinone

1-Benzyl-2-pyrrolidinone structure

CAS No:
5291-77-0
Formula:
C11H13NO
Chemical Name:
1-Benzyl-2-pyrrolidinone
Synonyms:
2-Pyrrolidinone,1-(phenylmethyl)-;2-Pyrrolidinone,1-benzyl-;1-(Phenylmethyl)-2-pyrrolidinone;1-Benzyl-2-pyrrolidinone;N-Benzylpyrrolidin-2-one;N-Benzylpyrrolidone;1-Benzyl-2-pyrrolidone;N-Benzyl-2-pyrrolidone;1-Benzylazacyclopentan-2-one;1-Benzyl-2-oxopyrrolidine;N-Benzylbutyrolactam;NSC 30184
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS TO YELLOW LIQUID

1-Benzyl-2-pyrrolidinone Basic Attributes

Molecular Weight：

175.23

Exact Mass：

175.23

BRN：

132168

EC Number：

226-131-5

NSC Number：

30184

DSSTox ID：

DTXSID70200959

HScode：

2933790090

Characteristics

PSA：

20.3

XLogP3：

1.2

Appearance：

Clear colorless to yellow Liquid

Density：

1.0983 g/cm³ @ Temp: 20 °C

Melting Point：

89 °C

Boiling Point：

122.5-123 °C

Flash Point：

>230 °F

Refractive Index：

1.578

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

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

Computed Properties

Molecular Weight:175.23
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:20.3
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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