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Diethoxyacetonitrile

Diethoxyacetonitrile structure

CAS No:
6136-93-2
Formula:
C6H11NO2
Chemical Name:
Diethoxyacetonitrile
Synonyms:
Acetonitrile,2,2-diethoxy-;Formaldehyde,cyano-,diethyl acetal;Acetonitrile,diethoxy-;2,2-Diethoxyacetonitrile;Diethoxyacetonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Diethoxyacetonitrile Basic Attributes

Molecular Weight：

129.16

Exact Mass：

129.16

EC Number：

228-111-1

DSSTox ID：

DTXSID0064121

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

0.6

Density：

0.9288 g/cm³ @ Temp: 25 °C

Melting Point：

-19--18ºC(lit.)

Boiling Point：

55-56 °C

Flash Point：

49.4±0.0 °C

Refractive Index：

1.3978 (589.3 nm 20 ºC)

Safety Information

Packing level：

Ⅲ

Hazard category：

3.2

Transport codes：

1993

wgk germany：

hazard class code：

safety instructions：

S16-S26-S27-S36-S37-S39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning 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, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diethoxyacetonitrile Use and Manufacturing

Manufacturing Info：

Acetonitrile, 2,2-diethoxy-: INACTIVE

Computed Properties

Molecular Weight:129.16
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:129.078978594
Monoisotopic Mass:129.078978594
Topological Polar Surface Area:42.2
Heavy Atom Count:9
Complexity:98.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Diethoxyacetonitrile

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DIETHOXYACETONITRILE

CAS No.: 6136-93-2

Content: 99.00%

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