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2-Benzoylpyrrole

2-Benzoylpyrrole structure

CAS No:
7697-46-3
Formula:
C11H9NO
Chemical Name:
2-Benzoylpyrrole
Synonyms:
Methanone,phenyl-1H-pyrrol-2-yl-;Ketone,phenyl pyrrol-2-yl;Phenyl-1H-pyrrol-2-ylmethanone;2-Benzoylpyrrole;Pyrrol-2-yl phenyl ketone;Phenyl(1H-pyrrol-2-yl)methanone;NSC 75585;2-Benzoyl-1H-pyrrole;Phenyl pyrrol-2-yl ketone
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Dark Brown Solid

2-Benzoylpyrrole Basic Attributes

Molecular Weight：

171.19500

Exact Mass：

171.20

NSC Number：

75585

DSSTox ID：

DTXSID80227753

Characteristics

PSA：

32.86000

XLogP3：

2.24570

Density：

1.173 g/cm3

Melting Point：

78-79 °C

Boiling Point：

175-180 °C @ Press: 0.25 Torr

Flash Point：

146.6ºC

Refractive Index：

1.608

Storage Conditions：

Refrigerator

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:171.19
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:171.068413911
Monoisotopic Mass:171.068413911
Topological Polar Surface Area:32.9
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

201230-82-2

73728-29-7

5145-65-3

27649-43-0

147088-89-9

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