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3-Ethoxybenzonitrile

3-Ethoxybenzonitrile structure

CAS No:
25117-75-3
Formula:
C9H9NO
Chemical Name:
3-Ethoxybenzonitrile
Synonyms:
Benzonitrile,3-ethoxy-;Benzonitrile,m-ethoxy-;3-Ethoxybenzonitrile;m-Ethoxybenzonitrile;3-(Ethyloxy)benzonitrile
Categories:
Organic Chemistry > Coordination Complexes

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3-Ethoxybenzonitrile Basic Attributes

Molecular Weight：

147.17400

Exact Mass：

147.17

EC Number：

246-632-2

DSSTox ID：

DTXSID60179807

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

1.95698

Density：

1.047 g/mL

Boiling Point：

241-244 °C

Flash Point：

>230ºF

Refractive Index：

n20/D 1.529(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.17
XLogP3:2.1
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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3-Ethoxybenzonitrile 99% kanbei

CAS No.: 25117-75-3

Content: 99%

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