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2,4-Dimethoxybenzonitrile

2,4-Dimethoxybenzonitrile structure

CAS No:
4107-65-7
Formula:
C9H9NO2
Chemical Name:
2,4-Dimethoxybenzonitrile
Synonyms:
Benzonitrile,2,4-dimethoxy-;2,4-Dimethoxybenzonitrile;1-Cyano-2,4-dimethoxybenzene;4-Cyano-3-methoxyanisole;NSC 27020
Categories:
Chemical Reagents > Organic Reagents

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Description

white to slightly yellow crystalline powder

2,4-Dimethoxybenzonitrile Basic Attributes

Molecular Weight：

163.176

Exact Mass：

163.17

EC Number：

223-886-2

NSC Number：

27020

DSSTox ID：

DTXSID00194034

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

1.8

Appearance：

white to light yellow crystalline powder.

Density：

1.1±0.1 g/cm3

Melting Point：

95-96 °C

Boiling Point：

165-170 °C @ Press: 5 Torr

Flash Point：

128.8±15.6 °C

Refractive Index：

1.520

Storage Conditions：

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

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36-S36/37

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4107-65-7

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Guide of 2,4-Dimethoxybenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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2,4-Dimethoxybenzonitrile

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