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2,5-Di-tert-butyl-1H-pyrrole

2,5-Di-tert-butyl-1H-pyrrole structure

CAS No:
3760-56-3
Formula:
C12H21N
Chemical Name:
2,5-Di-tert-butyl-1H-pyrrole
Synonyms:
2,5-Di-tert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,5-bis(tert-butyl)pyrrole;2,5-di-t-butylpyrrole;1H-Pyrrole,2,5-bis(1,1-dimethylethyl)-;SCHEMBL1791983;CTK4H8483;KS-00003SEU;DTXSID60508092;1929AE

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2,5-Di-tert-butyl-1H-pyrrole Basic Attributes

Molecular Weight：

179.307

Exact Mass：

179.167404

DSSTox ID：

DTXSID60508092

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

4.13

Density：

0.9±0.1 g/cm3

Boiling Point：

238.9±9.0 °C at 760 mmHg

Flash Point：

94.3±10.0 °C

Refractive Index：

1.483

Safety Information

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.30
XLogP3:4.1
Hydrogen Bond Donor Count:1
Rotatable Bond Count:2
Exact Mass:179.167399674
Monoisotopic Mass:179.167399674
Topological Polar Surface Area:15.8
Heavy Atom Count:13
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Di-tert-butyl-1H-pyrrole

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,5-Di-tert-butyl-1H-pyrrole

SDS

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