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Key Documents

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B88403

Sigma-Aldrich

3,3-Dimethylbutyric acid

98%

Sinónimos:

tert-Butylacetic acid

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About This Item

Fórmula lineal:
(CH3)3CCH2COOH
Número de CAS:
1070-83-3
Peso molecular:
116.16
Beilstein/REAXYS Number:
1740427
EC Number:
213-982-2
MDL number:
MFCD00002715
UNSPSC Code:
12352100
PubChem Substance ID:
24892098
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.411 (lit.)

bp

185-190 °C (lit.)

mp

−11 °C (lit.)

density

0.912 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)CC(O)=O

InChI

1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)

InChI key

MLMQPDHYNJCQAO-UHFFFAOYSA-N

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Journal of chromatography. A, 1627, 461390-461390 (2020-08-22)
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Journal of forensic sciences, 64(5), 1451-1461 (2019-07-02)
This is the first report regarding the characterization of the new synthetic cannabinoid 4F-MDMB-BINACA. 4F-MDMB-BINACA was first analytically confirmed in seized drug material using gas chromatography-mass spectrometry (GC-MS), liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOF), and nuclear magnetic resonance (NMR) spectroscopy.
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Journal of pharmaceutical and biomedical analysis, 138, 43-53 (2017-02-09)
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Wen Lie et al.
Archives of toxicology, 95(2), 489-508 (2020-11-26)
5F-MDMB-PINACA and 4F-MDMB-BINACA are synthetic cannabinoids (SCs) that elicit cannabinoid psychoactive effects. Defining pharmacokinetic-pharmacodynamic (PK-PD) relationships governing SCs and their metabolites are paramount to investigating their in vivo toxicological outcomes. However, the disposition kinetics and cannabinoid receptor (CB) activities of
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