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417440

2-氟-4-羟基苯腈

Name: 2-氟-4-羟基苯腈
Brand: ALDRICH

99%

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关于此项目

线性分子式:

FC₆H₃(OH)CN

化学文摘社编号:

82380-18-5

分子量:

137.11

UNSPSC Code:

12352100

PubChem Substance ID:

24866150

EC Index Number:

422-810-7

Beilstein/REAXYS Number:

4741066

MDL number:

MFCD00192177

Assay:

99%

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属性

assay

99%

mp

123-125 °C (lit.)

SMILES string

Oc1ccc(C#N)c(F)c1

InChI

1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

InChI key

REIVHYDACHXPNH-UHFFFAOYSA-N

说明

General description

2-Fluoro-4-hydroxybenzonitrile is a planar molecule. Its molecules are arranged in linear chains via weak intermolecular O-HN hydrogen bonds.

Application

2-Fluoro-4-hydroxybenzonitrile may be used in the synthesis of 4-cyano-3-fluorophenyl 4-(hexadecyloxy) benzoate.

pictograms

GHS05,GHS07,GHS09

signalword

Danger

hcodes

H302,H318,H411

pcodes

P264 - P270 - P273 - P280 - P301 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1

存储类别

11 - Combustible Solids

wgk

WGK 2

ppe

dust mask type N95 (US), Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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4-Cyano-3-fluoro-phenyl 4-(hexa-dec-yl-oxy)benzoate.

M K Usha et al.

Acta crystallographica. Section E, Structure reports online, 70(Pt 3), o244-o244 (2014-04-26)

In the title compound, C30H40FNO3, the dihedral angle between the benzene rings is 57.76 (7)°. The alkyl chain adopts an all-trans conformation. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers.

2-Fluoro-4-hydroxybenzonitrile.

Song X-Y, et al.

Acta Crystallographica Section E, Structure Reports Online, 60(11), 1919-1920 (2004)

全球贸易项目编号

货号	GTIN
417440-5G	04061832763361