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1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE

1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE structure

CAS No:
86688-93-9
Formula:
C11H9NO3S
Chemical Name:
1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE
Synonyms:
1-(benzenesulfonyl)pyrrole-2-carbaldehyde;1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE;1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBOXALDEHYDE;1-(PHENYLSULFONYL)-2-PYRROLECARBOXALDEHYDE;1-(Phenylsulfonyl)-2-formyl-1H-pyrrole;1H-Pyrrole-2-carboxaldehyde, 1-(phenylsulfonyl)-

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1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE Basic Attributes

Molecular Weight：

235.26

Exact Mass：

235.03031432 g/mol

DSSTox ID：

DTXSID60339368

HScode：

2933990090

Characteristics

PSA：

64.52000

XLogP3：

2.61840

Density：

1.29g/cm3

Melting Point：

81-82 °C(lit.)

Boiling Point：

438.2ºC

Flash Point：

218.8ºC

Refractive Index：

1.609

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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

Computed Properties

Molecular Weight:235.26
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:235.03031432
Monoisotopic Mass:235.03031432
Topological Polar Surface Area:64.5
Heavy Atom Count:16
Complexity:341
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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