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(3-Methoxyphenyl)acetonitrile

(3-Methoxyphenyl)acetonitrile structure

CAS No:
19924-43-7
Formula:
C9H9NO
Chemical Name:
(3-Methoxyphenyl)acetonitrile
Synonyms:
Benzeneacetonitrile,3-methoxy-;Acetonitrile,(m-methoxyphenyl)-;3-Methoxybenzeneacetonitrile;(m-Methoxyphenyl)acetonitrile;m-Methoxybenzyl cyanide;(3-Methoxyphenyl)acetonitrile;3-Methoxybenzyl cyanide;2-(3-Methoxyphenyl)acetonitrile;NSC 143401;Limnanthin nitrile
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid

(3-Methoxyphenyl)acetonitrile Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.17

BRN：

1865539

EC Number：

243-428-5

NSC Number：

143401

DSSTox ID：

DTXSID60173704

HScode：

29269095

Characteristics

PSA：

XLogP3：

1.76128

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.054 g/mL at 25 °C(lit.)

Melting Point：

Boiling Point：

152 °C

Flash Point：

221 °F

Refractive Index：

n 20/D 1.5402(lit.)

Water Solubility：

INSOLUBLE

Storage Conditions：

2-8°C

Vapor Pressure：

0.00264mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-36

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (29.09%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(3-Methoxyphenyl)acetonitrile Use and Manufacturing

3-Methoxyphenylacetonitrile is used in the synthesis of isoflavones which inhibit epithelial cell proliferation and induce apoptosis in vitro.

Computed Properties

Molecular Weight:147.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 19924-43-7

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Guide of (3-Methoxyphenyl)acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(3-Methoxyphenyl)acetonitrile

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