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Acetic acid-d4

Acetic acid-d4 structure

CAS No:
1186-52-3
Formula:
C2D4O2
Chemical Name:
Acetic acid-d4
Synonyms:
Acetic-d3 acid-d;Acetic acid-d4;Tetradeuteroacetic acid;Perdeuterioacetic acid;Acetic acid (CD3COOD);Tetradeuterioacetic acid;Perdeuteroacetic acid;2375359-78-5
Categories:
Chemical Reagents > Deuterated Reagents

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Acetic acid-d4 Basic Attributes

Molecular Weight：

64.08

Exact Mass：

64.046234

EC Number：

214-693-4

DSSTox ID：

DTXSID60152175

Characteristics

PSA：

37.30000

XLogP3：

-0.28

Appearance：

Colorless Liquid

Density：

1.137 g/cm³ @ Temp: 25 °C

Melting Point：

15.8-16 °C

Boiling Point：

115.5 °C(lit.)

Flash Point：

104 °F

Refractive Index：

1.376

Water Solubility：

soluble in water, ethanol and ether.

Storage Conditions：

Flammables area

Vapor Pressure：

11.4 mm Hg ( 20 °C)

Vapor Density：

2.07 (vs air)

Explosive limit：

4-19.9%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2789 8/PG 2

wgk germany：

hazard class code：

10-35

safety instructions：

23-26-45

Marks：

Stability/Shelf Life：

Stable. Incompatible with acids, bases, oxidizing agents, carbonates and phosphates, hydroxides, metals, oxides, acid anhydrides, peroxides, permanganates, amines, alcohols. Protect from moisture. Flammable.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H226-H314

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Acetic acid-d4 Use and Manufacturing

Labelled Acetic Acid is used for analysis and profiling of biological samples resolved through NMR spectroscopy. It helps with the labelling of RNA for high resolution NMR.

Computed Properties

Molecular Weight:64.08
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:64.046236350
Monoisotopic Mass:64.046236350
Topological Polar Surface Area:37.3
Heavy Atom Count:4
Complexity:31
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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