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3-Acetyl-1-(phenylsulfonyl)pyrrole

3-Acetyl-1-(phenylsulfonyl)pyrrole structure

CAS No:
81453-98-7
Formula:
C12H11NO3S
Chemical Name:
3-Acetyl-1-(phenylsulfonyl)pyrrole
Synonyms:
BUTTPARK 9757-34;3-ACETYL-N-BENZENESULFONYLPYRROLE;3-ACETYL-1-(PHENYLSULFONYL)PYRROLE;3-ACETYL-1-(PHENYLSULPHONYL)PYRROLE;3-Acetyl-1-(phenylsulfonyl)pyrrole 98%;3-ACETYL-1-(PHENYLSULFONYL)PYRROLE 99+%;3-Acetyl-1-(phenylsulphonyl)-1H-pyrrole;1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]ETHANONE;1-(1-BENZENESULFONYL-1H-PYRROL-3-YL)-ETHANONE;1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]-1-ETHANONE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

BEIGE CRYSTALLINE POWDER

1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone is a sulfonamide.

3-Acetyl-1-(phenylsulfonyl)pyrrole Basic Attributes

Molecular Weight：

249.29

Exact Mass：

249.04600

DSSTox ID：

DTXSID60339383

HScode：

2933990090

Characteristics

PSA：

64.5

XLogP3：

3.00850

Appearance：

Solid

Density：

1.26g/cm3

Melting Point：

96-99 °C(lit.)

Boiling Point：

435.7ºC at 760mmHg

Flash Point：

217.3ºC

Refractive Index：

1.599

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H315

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:249.29
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:249.04596439
Monoisotopic Mass:249.04596439
Topological Polar Surface Area:64.5
Heavy Atom Count:17
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Acetyl-1-(phenylsulfonyl)pyrrole

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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