429074

2-tert-Butyl-1,4-benzoquinone

98%

Manufacturer: Sigma Aldrich

CAS Number: 3602-55-9

Select a Size

Pack Size SKU Availability Price
5 G 429074-5-G In Stock ₹ 6,722.33

429074 - 5 G

₹ 6,722.33

In Stock

Quantity

1

Base Price: ₹ 6,722.33

GST (18%): ₹ 1,210.019

Total Price: ₹ 7,932.349

Assay

98%

form

solid

mp

54-58 °C (lit.)

SMILES string

CC(C)(C)C1=CC(=O)C=CC1=O

InChI

1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3

InChI key

NCCTVAJNFXYWTM-UHFFFAOYSA-N

Other Options

Image Product Name Manufacturer Price Range
50-242-7522
eMolecules​ Ambeed / 2-tert-Butyl-14-benzoquinone / 1g / 571783375 / A254740 / / 3602-55-9 / MFCD00666928 / 164.204 / C10H12O2
eMolecules​ ₹ 2,065.42
50-175-9711
Sigma Aldrich Fine Chemicals Biosciences 2-tert-Butyl-1,4-benzoquinone 98% | 3602-55-9 | MFCD00666928 | 5G
Sigma Aldrich Fine Chemicals Biosciences ₹ 8,034.08
CS-W017903
2-tert-Butyl-1,4-benzoquinone
ChemScene ₹ 1,882.32 - ₹ 9,240.48

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Description

  • General description: 2-tert-Butyl-1,4-benzoquinone (TBQ, TBBQ, tBQ, BuBQ, BQ , tert-butyl-p-quinone) is a 1,4-benzoquinone derivative. It is a major metabolite of the food additive, butylated hydroxyanisole (BHA). TBQ is reported to be strongly cytotoxic in human monocytic leukemia U937 cells.[1] TBQ is an oxidation product of 2-tert-butylhydroquinone (TBHQ).[2] Studies confirm that TBQ induces apoptosis and cell proliferation inhibition in chronic myelogenous leukemia (CML) cells.[3] Its binding interactions with lysozyme has been examined and found to be intermediate between BHA and TBHQ.[4] It has been reported to be synthesized by the titanium superoxide catalyzed oxidation of 2-tert-butylphenol using aq. 30% H2O2.[5] TBQ is one of the main neoformed compounds from TBHQ decomposition in PLA-TBHQ film (Poly lactic acid).[6]
  • Application: 2-tert-Butyl-1,4-benzoquinone may be used in the synthesis of azatrioxa[8]circulene.[7]

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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429074

98%...


Assay:
98%

form:
solid

mp:
54-58 °C (lit.)

SMILES string:
CC(C)(C)C1=CC(=O)C=CC1=O

InChI:
1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3

InChI key:
NCCTVAJNFXYWTM-UHFFFAOYSA-N

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Sigma Aldrich

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form:
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Cc1cccc(Br)n1

InChI:
1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3

InChI key:
SOHDPICLICFSOP-UHFFFAOYSA-N

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Sigma Aldrich

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98%

form:
liquid

mp:
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SMILES string:
COc1cccc(CBr)c1

InChI:
1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

InChI key:
ZKSOJQDNSNJIQW-UHFFFAOYSA-N

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Sigma Aldrich

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--


Assay:
__

form:
__

mp:
__

SMILES string:
[C-]#[O+].[C-]#[O+].CC(=O)\C=C(\C)O[Ir]

InChI:
1S/C5H8O2.2CO.Ir/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;;;/q;;;+1/p-1/b4-3-;;;

InChI key:
DFIAYCFHPDOZLK-FGSKAQBVSA-M