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2-ACETYL-1-(PHENYLSULFONYL)PYRROLE

2-ACETYL-1-(PHENYLSULFONYL)PYRROLE structure

CAS No:
86688-88-2
Formula:
C12H11NO3S
Chemical Name:
2-ACETYL-1-(PHENYLSULFONYL)PYRROLE
Synonyms:
1-[1-(PHENYLSULFONYL)-1H-PYRROL-2-YL]ETHAN-1-ONE;2-ACETYL-1-(PHENYLSULFONYL)PYRROLE;1-[1-(phenylsulphonyl)-1H-pyrrol-2-yl]ethan-1-one;2-ACETYL-N-BENZENESULFONYLPYRROLE;1-[1-(benzenesulfonyl)pyrrol-2-yl]ethanone

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2-ACETYL-1-(PHENYLSULFONYL)PYRROLE Basic Attributes

Molecular Weight：

249.29

Exact Mass：

249.04600

DSSTox ID：

DTXSID00351665

Characteristics

PSA：

64.5

XLogP3：

3.00850

Density：

1.26g/cm3

Melting Point：

95-96 °C(lit.)

Boiling Point：

435.7ºC at 760 mmHg

Flash Point：

217.3ºC

Refractive Index：

1.599

Water Solubility：

36.9 [ug/mL]

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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
XLogP3:1.9
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 2-ACETYL-1-(PHENYLSULFONYL)PYRROLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-ACETYL-1-(PHENYLSULFONYL)PYRROLE

SDS

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