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Home > Encyclopedia > 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID

5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID

5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID structure

5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID 

structure
  • CAS No:

    83405-71-4

  • Formula:

    C8H12N2O2

  • Chemical Name:

    5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID

  • Synonyms:

    IFLAB-BB F3250-0568;5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID;AKOS BBS-00002586;3-TERT-BUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;SALOR-INT L481149-1EA;TIMTEC-BB SBB010498;VITAS-BB TBB013040;1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-

5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLICACID Basic Attributes

168.19

168.089877630 g/mol

DTXSID30366449

2933199090

Characteristics

65.98000

1.40540

1.199g/cm3

357.2ºC

169.8ºC

1.541

Safety Information

IRRITANT

20/21/22

3/9-36/37

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.19
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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