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Home > Encyclopedia > 4-(1H-PYRROL-1-YL)BENZOICACID

4-(1H-PYRROL-1-YL)BENZOICACID

4-(1H-PYRROL-1-YL)BENZOICACID structure

4-(1H-PYRROL-1-YL)BENZOICACID 

structure
  • CAS No:

    22106-33-8

  • Formula:

    C11H9NO2

  • Chemical Name:

    4-(1H-PYRROL-1-YL)BENZOICACID

  • Synonyms:

    4-PYRROL-1-YL-BENZOIC ACID;4-(1H-PYRROL-1-YL)BENZOIC ACID;4-(1-PYRROLO)BENZOIC ACID;OTAVA-BB BB7020410154;TIMTEC-BB SBB003691;RARECHEM AL BO 0737;BUTTPARK 98\12-83;4-(1-Pyrrolyl)benzoic acid, 99%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-(1H-PYRROL-1-YL)BENZOICACID Basic Attributes

187.19

187.063328530

DTXSID00371949

Characteristics

1.18±0.1 g/cm3

286-289 °C (lit.)

355.5±25.0 °C(Predicted)

3.83±0.10

Safety Information

IRRITANT

3

36/37/38

26-37/39

Xi

|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 199 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:187.19
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:14
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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