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1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile structure

CAS No:
64169-67-1
Formula:
C15H10FNO
Chemical Name:
1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
Synonyms:
5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-;1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile;1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile;LU 17-046;5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran;1-(4-Fluorophenyl)-5-cyanophthalan;1-(4-Fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile Basic Attributes

Molecular Weight：

239.24400

Exact Mass：

239.24

DSSTox ID：

DTXSID70431862

HScode：

2932999099

Characteristics

PSA：

33.02000

XLogP3：

3.31698

Appearance：

white to light yellow crystal powder

Density：

1.29g/cm3

Melting Point：

95-97 °C

Boiling Point：

375ºC

Flash Point：

180.8ºC

Refractive Index：

1.62

Storage Conditions：

-20ºC Freezer

Safety Information

hazard class code：

R22

safety instructions：

S22; S36/37

RTECS Number：

YT5250000

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:239.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:239.074642105
Monoisotopic Mass:239.074642105
Topological Polar Surface Area:33
Heavy Atom Count:18
Complexity:342
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

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Guide of 1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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