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4-Cyano-3-fluorobenzoic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 176508-81-9 Structure
  • Basic information

    1. Product Name: 4-Cyano-3-fluorobenzoic acid
    2. Synonyms: 3-FLUORO-4-CYANOBENZOIC ACID;4-CYANO-3-FLUOROBENZOIC ACID;3-FLUORO-4-CYANOBENZOIC ACID,98+%;4-Carboxy-2-fluorobenzonitrile;4-Cyano-3-fluorobenzoic acid
    3. CAS NO:176508-81-9
    4. Molecular Formula: C8H4FNO2
    5. Molecular Weight: 165.12
    6. EINECS: N/A
    7. Product Categories: Multisubstituted Benzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C8 to C9;C8Nitrogen Compounds;Carbonyl Compounds;Carboxylic Acids;Cyanides/Nitriles
    8. Mol File: 176508-81-9.mol
  • Chemical Properties

    1. Melting Point: 162.0 to 166.0 °C
    2. Boiling Point: 335.7 °C at 760 mmHg
    3. Flash Point: 156.9 °C
    4. Appearance: /
    5. Density: 1.42 g/cm3
    6. Vapor Pressure: 4.61E-05mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: soluble in Methanol
    10. PKA: 3.20±0.10(Predicted)
    11. CAS DataBase Reference: 4-Cyano-3-fluorobenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Cyano-3-fluorobenzoic acid(176508-81-9)
    13. EPA Substance Registry System: 4-Cyano-3-fluorobenzoic acid(176508-81-9)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 20/21/22-41-37/38-22
    3. Safety Statements: 22-36/37/39-39-26
    4. RIDADR: 3439
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 176508-81-9(Hazardous Substances Data)

176508-81-9 Usage

Chemical Properties

Light yellow powder

Check Digit Verification of cas no

The CAS Registry Mumber 176508-81-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,6,5,0 and 8 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 176508-81:
(8*1)+(7*7)+(6*6)+(5*5)+(4*0)+(3*8)+(2*8)+(1*1)=159
159 % 10 = 9
So 176508-81-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)

176508-81-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Cyano-3-fluorobenzoic acid

1.2 Other means of identification

Product number -
Other names 4-Cyano-3-fluorobenzoic Acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:176508-81-9 SDS

176508-81-9Relevant articles and documents

Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity

Hangeland, Jon J.,Friends, Todd J.,Rossi, Karen A.,Smallheer, Joanne M.,Wang, Cailan,Sun, Zhong,Corte, James R.,Fang, Tianan,Wong, Pancras C.,Rendina, Alan R.,Barbera, Frank A.,Bozarth, Jeffrey M.,Luettgen, Joseph M.,Watson, Carol A.,Zhang, Ge,Wei, Anzhi,Ramamurthy, Vidhyashankar,Morin, Paul E.,Bisacchi, Gregory S.,Subramaniam, Srinath,Arunachalam, Piramanayagam,Mathur, Arvind,Seiffert, Dietmar A.,Wexler, Ruth R.,Quan, Mimi L.

, p. 9915 - 9932 (2015/02/05)

Novel inhibitors of FXIa containing an (S)-2-phenyl-1-(4-phenyl-1H-imidazol-2-yl)ethanamine core have been optimized to provide compound 16b, a potent, reversible inhibitor of FXIa (Ki = 0.3 nM) having in vivo antithrombotic efficacy in the rabbit AV-shunt thrombosis model (ID50 = 0.6 mg/kg + 1 mg kg-1 h-1). Initial analog selection was informed by molecular modeling using compounds 11a and 11h overlaid onto the X-ray crystal structure of tetrahydroquinoline 3 complexed to FXIa. Further optimization was achieved by specific modifications derived from careful analysis of the X-ray crystal structure of the FXIa/11h complex. Compound 16b was well tolerated and enabled extensive pharmacologic evaluation of the FXIa mechanism up to the ID90 for thrombus inhibition.

ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS

-

Page/Page column 121, (2008/06/13)

The present invention provides compounds of Formula (I): Formula (I) or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L1, M and R11 are as defined herein. The compounds of Formula (I) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

HETEROCYCLIC CARBONYL COMPOUNDS

-

Page/Page column 59-60, (2008/06/13)

The invention relates to novel heterocyclic compounds of formula (I) wherein R1, D, W, T and T' have the meaning cited in the claim 1. Said compounds are SGK-inhibitors and can be used in the treatment of SGK-related diseases and disorders such as diabetes, obesity, metabolic syndrome (dyslipidemia), systemic and pulmonal hypertension, cardiovascular diseases and renal diseases, and generally for any kind of fibroses and inflammatory processes.

FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS

-

Page/Page column 153, (2008/06/13)

The present invention provides a method for treating a thrombotic or an inflammatory disorder administering to a patient in need thereof a therapeutically effective amount of at least one compound of Formula (I) or Formula (V): (I) [INSERTCHEMICAL STRUCTURE HERE] (V)[INSERT CHEMICAL STRUCTURE HERE] or a stereoisomer or pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L, Z, R3, R4, R6, R11, X1, X2, and X3 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also provides compounds within the scope of Formula I and relates to pharmaceutical compositions comprising these compounds.

3-AMINOINDAZOLES

-

Page/Page column 68, (2008/06/13)

Novel 3-aminoindazoles of formula (I) are SGK-inhibitors and can be used for treating SGK-related diseases and illnesses such as diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, and generally any type of fibroses and inflammatory processes.

Application of aryloximes as solid-phase ketone linkers.

Lepore, Salvatore D,Wiley, Michael R

, p. 7 - 10 (2007/10/03)

In both solution and the solid phase, a variety of ketone oxime anions have been treated with 4-substituted-2-fluorobenzonitriles to give the corresponding nucleophilic aromatic substitution aryloxime adducts. Under aqueous acidic conditions, these adducts underwent cyclization to give the corresponding ketones. Suzuki and amide coupling reactions were also successfully performed on two resin-bound oximes followed by subsequent cyclorelease to give ketone product in good yields and purities. [reaction--see text]

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