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3-Pyrrolidinone

3-Pyrrolidinone structure

CAS No:
96-42-4
Formula:
C4H7NO
Chemical Name:
3-Pyrrolidinone
Synonyms:
3-Pyrrolidinone;3-Pyrrolidone;NSC 31423
Categories:
Pharmaceutical Intermediates > Antiemetics

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3-Pyrrolidinone Basic Attributes

Molecular Weight：

85.104

Exact Mass：

85.10

NSC Number：

31423

DSSTox ID：

DTXSID50283427

HScode：

2933990090

Characteristics

PSA：

29.10000

XLogP3：

-1.10

Density：

1.0±0.1 g/cm3

Boiling Point：

156.0±23.0 °C at 760 mmHg

Flash Point：

79.9±22.8 °C

Refractive Index：

1.452

Safety Information

hazard class code：

37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.

Computed Properties

Molecular Weight:85.10
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:85.052763847
Monoisotopic Mass:85.052763847
Topological Polar Surface Area:29.1
Heavy Atom Count:6
Complexity:69.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Pyrrolidin-3-one

CAS No.: 96-42-4

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3-Pyrrolidinone

CAS No.: 96-42-4

Grade: Pharmaceutical Grade

Content: 98%

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