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4-Butoxybenzonitrile

4-Butoxybenzonitrile structure

CAS No:
5203-14-5
Formula:
C11H13NO
Chemical Name:
4-Butoxybenzonitrile
Synonyms:
Benzonitrile,4-butoxy-;Benzonitrile,p-butoxy-;4-Butoxybenzonitrile
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Description

white to light yellow crystal powder

4-Butoxybenzonitrile Basic Attributes

Molecular Weight：

175.22700

Exact Mass：

175.23

DSSTox ID：

DTXSID50199998

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.73718

Density：

0.999 g/mL at 25 °C(lit.)

Melting Point：

35 °C

Boiling Point：

146-148 °C @ Press: 3 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.526(lit.)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R21/22

safety instructions：

S26-S36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.23
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:33
Heavy Atom Count:13
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-N-BUTOXYBENZONITRILE

Unit Price: $100 /KG EXW

CAS No.: 5203-14-5

Grade: Pharmaceutical Grade

Content: 99%

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