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Merck
CN

8.01336

Pivalic acid

for synthesis

别名:

Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid

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关于此项目

线性分子式:
(CH3)3CCOOH
化学文摘社编号:
75-98-9
分子量:
102.13
UNSPSC Code:
12352106
EC Index Number:
200-922-5
NACRES:
NA.22
MDL number:
MFCD00004194

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产品名称

Pivalic acid, for synthesis

SMILES string

OC(=O)C(C)(C)C

InChI

1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)

InChI key

IUGYQRQAERSCNH-UHFFFAOYSA-N

vapor pressure

0.85 hPa ( 20 °C)

form

crystals

potency

900 mg/kg LD50, oral (Rat)
1900 mg/kg LD50, skin (Rat)

expl. lim.

1.6 % (v/v)

mp

32-35 °C

transition temp

flash point 64 °C

solubility

25 g/L

density

0.91 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

200

相关类别

Application


  • Regiodivergent synthesis involving pivalic acid: A ligand-controlled regiodivergent C-H alkenylation process using pivalic acid, advancing the synthesis of complex indazoles and potentially impacting pharmaceutical compound development (Kim et al., 2017).

  • Pivalic acid in radiochemical syntheses: The study utilized pivalic acid derivatives for the synthesis of novel radioiodinated pharmaceuticals for hypoxia imaging, highlighting its utility in diagnostic and therapeutic applications in the medical field (Elsaidi et al., 2019).

  • Capillary electrophoretic applications of pivalic acid: Research explored new methods of cationic electrophoretic focusing using pivalic acid for high-sensitivity analysis of water contaminants, providing insights into environmental monitoring techniques (Malá and Gebauer, 2022).

  • Cyclative coupling using pivalic acid: Zhuang et al. described a novel cyclative C-H/C-H coupling technique facilitated by pivalic acid, which rapidly constructs complex molecular frameworks like tetralin and chromane, useful in drug discovery and development (Zhuang et al., 2021).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

存储类别

11 - Combustible Solids

wgk

WGK 1

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

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