Cas no 145818-28-6 (4-tert-butyl-2-hydroxybenzonitrile)

4-tert-butyl-2-hydroxybenzonitrile structure
145818-28-6 structure
Product Name:4-tert-butyl-2-hydroxybenzonitrile
CAS No:145818-28-6
MF:C11H13NO
MW:175.227022886276
MDL:MFCD09263968
CID:835670
PubChem ID:14954837
Update Time:2025-04-19

4-tert-butyl-2-hydroxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Butyl)-2-hydroxybenzonitrile
    • 4-tert-butyl-2-hydroxybenzonitrile
    • Benzonitrile, 4-(1,1-dimethylethyl)-2-hydroxy-
    • CS-0005806
    • QTLNIYPZXDQTKS-UHFFFAOYSA-N
    • C90404
    • SCHEMBL4231231
    • AB50288
    • DB-367981
    • AKOS006330132
    • 145818-28-6
    • DTXSID00566030
    • MFCD09263968
    • 4-t-Butyl-2-hydroxybenzonitrile
    • 4-(t-Butyl)-2-hydroxybenzonitrile
    • MDL： MFCD09263968
    • Inchi： 1S/C11H13NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-6,13H,1-3H3
    • InChI Key： QTLNIYPZXDQTKS-UHFFFAOYSA-N
    • SMILES： OC1=C(C#N)C=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 175.09979
  • Monoisotopic Mass: 175.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 44?2

Experimental Properties

  • Density: 1.07±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.21 g/l) (25 o C),
  • PSA: 44.02

4-tert-butyl-2-hydroxybenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019099256-1g
4-(tert-Butyl)-2-hydroxybenzonitrile
 145818-28-6 95%
1g
 475.24 USD 2021-06-17
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBSL0081-100mg
4-tert-butyl-2-hydroxybenzonitrile
 145818-28-6 95%
100mg
 ￥779.0 2024-04-24
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBSL0081-250mg
4-tert-butyl-2-hydroxybenzonitrile
 145818-28-6 95%
250mg
 ￥1036.0 2024-04-24
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBSL0081-500mg
4-tert-butyl-2-hydroxybenzonitrile
 145818-28-6 95%
500mg
 ￥1722.0 2024-04-24
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBSL0081-1g
4-tert-butyl-2-hydroxybenzonitrile
 145818-28-6 95%
1g
 ￥2587.0 2024-04-24
Ambeed
A606039-1g
4-(tert-Butyl)-2-hydroxybenzonitrile
 145818-28-6 98+%
1g
 $399.0 2024-04-23
abcr
AB555835-250 mg
4-(t-Butyl)-2-hydroxybenzonitrile; .
 145818-28-6
250MG
 €339.20 2022-07-28
abcr
AB555835-1 g
4-(t-Butyl)-2-hydroxybenzonitrile; .
 145818-28-6
1g
 €633.30 2022-07-28
Crysdot LLC
CD12140984-1g
4-(tert-Butyl)-2-hydroxybenzonitrile
 145818-28-6 95+%
1g
 $535 2024-07-23
abcr
AB555835-250mg
4-(t-Butyl)-2-hydroxybenzonitrile; .
 145818-28-6
250mg
 €651.20 2024-08-02

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