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Home > Encyclopedia > N-Tosyl-3-pyrrolecarboxylic Acid

N-Tosyl-3-pyrrolecarboxylic Acid

N-Tosyl-3-pyrrolecarboxylic Acid structure

N-Tosyl-3-pyrrolecarboxylic Acid 

structure
  • CAS No:

    106058-86-0

  • Formula:

    C12H11NO4S

  • Chemical Name:

    N-Tosyl-3-pyrrolecarboxylic Acid

  • Synonyms:

    1-Tosyl-1H-pyrrole-3-carboxylic acid; 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid; N-Tosyl-pyrrole-3-carboxylic acid;

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

N-Tosyl-3-pyrrolecarboxylic Acid Basic Attributes

265.28500

265.04087901

DTXSID20369207

2933990090

Characteristics

84.75000

2.81250

brown solid

1.37g/cm3

202-206ºC

501.8ºC

257.3ºC

6.86E-11mmHg at 25°C

Safety Information

S24/25

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:265.29
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:265.04087901
Monoisotopic Mass:265.04087901
Topological Polar Surface Area:84.8
Heavy Atom Count:18
Complexity:406
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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