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2-FLUORO-5-FORMYLBENZONITRILE

2-FLUORO-5-FORMYLBENZONITRILE structure

CAS No:
218301-22-5
Formula:
C8H4FNO
Chemical Name:
2-FLUORO-5-FORMYLBENZONITRILE
Synonyms:
10014 2-FLUORO-5-FORMYL BENZONITRILE;6002 2-FLUORO-5-FORMYL BENZONITRILE;4-Fluoro-3-cyanobenzaldehyde;2-Fluoro-5-formylbenzonitrile 97%;2-Fluor-5-formylbenzonitrile;3-cyano-4-flluorobenzaldehyde;Benzonitrile, 2-fluoro-5-formyl-;CYANOFLUOROBENZALDEHYDE-3-4
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

White Solid

2-FLUORO-5-FORMYLBENZONITRILE Basic Attributes

Molecular Weight：

149.12

Exact Mass：

149.027695

DSSTox ID：

DTXSID30377772

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.2

Density：

1.3±0.1 g/cm3

Melting Point：

80-84 °C(lit.)

Boiling Point：

215.6°C at 760 mmHg

Flash Point：

84.2±21.8 °C

Refractive Index：

1.527

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

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, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-FLUORO-5-FORMYLBENZONITRILE Use and Manufacturing

Methods of Manufacturing

Preparation of 2-fluoro-5-formylbenzonitrileTo NMP (40ml) were added 3-bromo-4-fluorobenzaldehyde (lOg, 0.05mol) and CuCN (5g, 0.055mol). The resulting mixture was heated at 170°C for 24h until the reaction finished (monitored by TLC), and cooled to 80 Preparation of 2-fluoro-5-formylbenzonitrile

Uses

3-Cyano-4-fluorobenzaldehyde is used in the preparation of heterocyclic compounds as PARP inhibitors for medical use.

Computed Properties

Molecular Weight:149.12
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.027691913
Monoisotopic Mass:149.027691913
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-FLUORO-5-FORMYLBENZONITRILE

Echemi Pharmaceutical Contact Supplier

CN
8 YRS

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2-FLUORO-5-FORMYLBENZONITRILE 99.0% Powder Echemi

CAS No.: 218301-22-5

Grade: Pharmaceutical Grade

Content: 99.0%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

2-FLUORO-5-FORMYLBENZONITRILE

CAS No.: 218301-22-5

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Content: 98%

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Changzhou Xuanming Pharmaceutical Techno Contact Supplier

CN
5 YRS

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Trader Supplier of Peptides,Chemicals,API,Additives

3-Cyano-4-fluorobenzaldehyde

CAS No.: 218301-22-5

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Content: 99%

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Chiyan Contact Supplier

CN
3 YRS

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Trader Supplier of Upadacitinib Hemihydrate,(S)-(+)-1-Boc-3-hydroxypyrrolidine

3-cyano-4-fluorobenzaldehyde

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Shandong Boyuan Pharmaceutical Co., Ltd. Contact Supplier

CN
5 YRS

Business licensed Certified factory

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2-FLUORO-5-FORMYLBENZONITRILE;60022-FLUORO-5-FORMYLBENZONITRILE;4-Fluoro-3-cyanobenzaldehyde;2-Fluor-5-formylbenzonitrile;Chemicalbook2-Fluoro-5-formy

CAS No.: 218301-22-5

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-FLUORO-5-FORMYLBENZONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-FLUORO-5-FORMYLBENZONITRILE

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