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Acetonitrile-d3

Acetonitrile-d3 structure

CAS No:
2206-26-0
Formula:
C2D3N
Chemical Name:
Acetonitrile-d3
Synonyms:
Acetonitrile-2,2,2-d3;Acetonitrile-d3;Methyl-d3 cyanide;Trideuteroacetonitrile;Perdeuteroacetonitrile;Trideuterioacetonitrile;Perdeuterioacetonitrile;d3-Acetonitrile
Categories:
Chemical Reagents > Deuterated Reagents

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Description

colourless liquid

Acetonitrile-d3 Basic Attributes

Molecular Weight：

44.07

Exact Mass：

44.045380

EC Number：

218-616-5

DSSTox ID：

DTXSID50176547

HScode：

28459010

Characteristics

PSA：

23.8

XLogP3：

-0.45

Appearance：

Colorless Liquid In Prescored Ampoules, (0.75Ml/ampoule)

Density：

0.7±0.1 g/cm3

Melting Point：

-46 °C

Boiling Point：

80.7 °C(lit.)

Flash Point：

42 °F

Refractive Index：

1.331

Water Solubility：

Miscible with water, ethanol, diethyl ether, acetone, benzene, methanol, methyl acetate, ethyl acetate, acetamide solutions, chloroform, carbon tetrachloride, ethylene chloride and unsaturated hydrocarbons. Immiscible with saturated hydrocarbons.

Storage Conditions：

Flammables area

Vapor Pressure：

97 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg

Explosive limit：

3.0-16%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

11-20/21/22-36-36/37/38-23/24/25-10

safety instructions：

16-36/37-45-27-26

Marks：

T,F,Xn

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

GHS Classification：

|Danger|H225 (96.36%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 55 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Acetonitrile-d3 Use and Manufacturing

Deuterated acetonitrile is mainly used as nuclear magnetic resonance reagents, pharmacy and synthesis, photoelectric material modification, laboratory special reagents, chemicals, scientific research, testing and so on.

Computed Properties

Molecular Weight:44.07
Hydrogen Bond Acceptor Count:1
Exact Mass:44.045379338
Monoisotopic Mass:44.045379338
Topological Polar Surface Area:23.8
Heavy Atom Count:3
Complexity:29.3
Isotope Atom Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

No specific information provided

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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