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Merck

612073

1,4-Dioxane solution

suitable for NMR (reference standard), 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 3 mm × 8 in.

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About This Item

Empirical Formula (Hill Notation):
C4H8O2
CAS Number:
123-91-1
Molecular Weight:
88.11
NACRES:
NA.11
PubChem Substance ID:
24882090
UNSPSC Code:
12352005
MDL number:
MFCD00006571

Key Documents

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InChI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

SMILES string

C1COCCO1

InChI key

RYHBNJHYFVUHQT-UHFFFAOYSA-N

composition

chromium(III) acetylacetonate, 5 mg/mL

concentration

40% in benzene-d6 (99.6 atom % D)

technique(s)

NMR: suitable

NMR tube size

3 mm × 8 in.

suitability

suitable for NMR (reference standard)

Quality Level

200

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Features and Benefits

13C sensitivity

Preparation Note

3 mm O.D. tube contains 0.235 mL.

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1 - STOT SE 3

target_organs

Blood, Respiratory system

supp_hazards

EUH019

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

32.0 °F - closed cup

flash_point_c

0 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
EB1759
SZ1690
IY1770
CX0058
EQ0753

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Carlos E Agudelo-Morales et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 13(18), 4195-4201 (2012-10-24)
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