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3,4-Dimethoxybenzeneacetonitrile

3,4-Dimethoxybenzeneacetonitrile structure

CAS No:
93-17-4
Formula:
C10H11NO2
Chemical Name:
3,4-Dimethoxybenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3,4-dimethoxy-;Acetonitrile,(3,4-dimethoxyphenyl)-;3,4-Dimethoxybenzeneacetonitrile;(3,4-Dimethoxyphenyl)acetonitrile;Homoveratronitrile;3,4-Dimethoxybenzyl cyanide;Veratryl cyanide;2-(3,4-Dimethoxyphenyl)acetonitrile;NSC 6324;3,4-Methyleneoxyphenyl acetonitrile
Categories:
Specialty Chemicals

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Description

white to almost white crystals or cryst. needles

3,4-Dimethoxybenzeneacetonitrile Basic Attributes

Molecular Weight：

177.2

Exact Mass：

177.20

EC Number：

202-225-1

UNII：

62C8S706SP

NSC Number：

6324

DSSTox ID：

DTXSID30239220

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

1.2

Appearance：

White crystal

Density：

1.1±0.1 g/cm3

Melting Point：

64-65 °C

Boiling Point：

171-178 °C @ Press: 10 Torr

Flash Point：

116.6±16.4 °C

Refractive Index：

1.512

Water Solubility：

insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R22;R23/24/25

safety instructions：

S36/37-S45-S22

RTECS Number：

AL9325000

Marks：

T:Toxic;Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P310, P301+P312, P321, P330, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (48.68%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501|Aggregated GHS information provided by 189 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dimethoxyphenylacetonitrile

3,4-Dimethoxybenzeneacetonitrile Use and Manufacturing

An Impurity of Verapamil (V125000). An intermediate in the preparation of the muscle relaxant Papverine (P190500).

Computed Properties

Molecular Weight:177.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:177.078978594
Monoisotopic Mass:177.078978594
Topological Polar Surface Area:42.2
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dimethoxybenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

3,4-Dimethoxybenzeneacetonitrile

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