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Home > Encyclopedia > 4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID structure

4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID 

structure
  • CAS No:

    15898-26-7

  • Formula:

    C13H13NO2

  • Chemical Name:

    4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

  • Synonyms:

    1-(4-CARBOXYPHENYL)-2,5-DIMETHYLPYRROLE;AKOS BB-3565;4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLIC ACID;4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID;4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID;BUTTPARK 19\07-90;RARECHEM AL BE 1036;4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid,97%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID Basic Attributes

215.25

215.09500

DTXSID80332598

2933990090

Characteristics

42.2

2.79230

1.14±0.1 g/cm3(Predicted)

181-184°C

383.8±30.0 °C(Predicted)

185.9ºC

1.579

Safety Information

IRRITANT

36/37/38

26-36/37/39

Harmful

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:215.25
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:215.094628657
Monoisotopic Mass:215.094628657
Topological Polar Surface Area:42.2
Heavy Atom Count:16
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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