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4-ETHOXYBENZONITRILE

4-ETHOXYBENZONITRILE structure

CAS No:
25117-74-2
Formula:
C9H9NO
Chemical Name:
4-ETHOXYBENZONITRILE
Synonyms:
Benzonitrile, 4-ethoxy-;Benzonitrile, p-ethoxy-;P-ETHOXYBENZONITRILE;P-ETHOXYCYANOBENZENE;4-ETHOXYBENZONITRILE;4-ETHYLOXYBENZONITRILE;4-Ethoxybenzoic acid nitrile;4-ETHOXYBENZONITRILE99%
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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4-ETHOXYBENZONITRILE Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.06800

BRN：

2613602

DSSTox ID：

DTXSID00179806

HScode：

2926909090

Characteristics

PSA：

XLogP3：

1.95698

Density：

1.05g/cm3

Melting Point：

62-64 °C(lit.)

Boiling Point：

258 °C(lit.)

Flash Point：

258°C

Refractive Index：

1.52

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

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (95.45%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-ETHOXYBENZONITRILE Use and Manufacturing

For organic synthesis

Computed Properties

Molecular Weight:147.17
XLogP3:1.9
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:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-ethoxybenzonitrile

CAS No.: 25117-74-2

Content: 99.00%

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4-ETHOXYBENZONITRILE

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CAS No.: 25117-74-2

Grade: Pharmaceutical Grade

Content: 99%

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