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Merck

611905

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 5 mm × 8 in.

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About This Item

Empirical Formula (Hill Notation):
C4H8O2
CAS Number:
Molecular Weight:
88.11
NACRES:
NA.12
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
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Quality Level

composition

chromium(III) acetylacetonate, 5 mg/mL

concentration

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

technique(s)

NMR: suitable

NMR tube size

5 mm × 8 in.

suitability

suitable for NMR (reference standard)

SMILES string

C1COCCO1

InChI

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

InChI key

RYHBNJHYFVUHQT-UHFFFAOYSA-N

Features and Benefits

13C sensitivity

Preparation Note

5 mm O.D. tube contains 0.700 mL.


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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

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

70.0 °F - closed cup

flash_point_c

21.1 °C - closed cup

ppe

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


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Specified Class I Designated Chemical Substances + Class I Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

611905-1EA:4548173173764 + 611905-BULK: + 611905-VAR:

jan



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Articles

NMR reference standards ensure proper instrument performance. Review key operational parameters for these standards such as pw90, sensitivity, resolution and line shape.


Kyle T Greenway et al.
The Journal of organic chemistry, 77(20), 9221-9226 (2012-10-03)
Hyperconjugation underlies many chemical phenomena of fundamental and practical importance. Owing to a great deal of interest in the anomeric effect, anomeric-like hyperconjugative effects have been thoroughly investigated in oxygen-containing systems. However, such interactions in the second- and third-row chalcogens
Daniel Gerrity et al.
Water research, 46(19), 6257-6272 (2012-10-16)
The performance of ozonation in wastewater depends on water quality and the ability to form hydroxyl radicals (·OH) to meet disinfection or contaminant transformation objectives. Since there are no on-line methods to assess ozone and ·OH exposure in wastewater, many
Venkateshwarlu Gurram et al.
Chemistry, an Asian journal, 7(8), 1853-1861 (2012-05-10)
Reaction conditions for the CC cross-coupling of O(6)-alkyl-2-bromo- and 2-chloroinosine derivatives with aryl-, hetaryl-, and alkylboronic acids were studied. Optimization experiments with silyl-protected 2-bromo-O(6)-methylinosine led to the identification of [PdCl(2)(dcpf)]/K(3)PO(4) in 1,4-dioxane as the best conditions for these reactions (dcpf=1,1'-bis(dicyclohexylphosphino)ferrocene).