114996-72-4

• 

• Basic information

  1. Product Name: 4-(fluoromethyl)benzoylformate
  2. Synonyms: 4-(fluoromethyl)benzoylformate
  3. CAS NO:114996-72-4
  4. Molecular Formula: C₉H₇FO₃
  5. Molecular Weight: 182.15
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 114996-72-4.mol
  9. Article Data: 1

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 315°Cat760mmHg
  3. Flash Point: 144.3°C
  4. Appearance: /
  5. Density: 1.326g/cm³
  6. Vapor Pressure: 0.000191mmHg at 25°C
  7. Refractive Index: 1.537
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: 4-(fluoromethyl)benzoylformate(CAS DataBase Reference)
  11. NIST Chemistry Reference: 4-(fluoromethyl)benzoylformate(114996-72-4)
  12. EPA Substance Registry System: 4-(fluoromethyl)benzoylformate(114996-72-4)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 114996-72-4(Hazardous Substances Data)

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• Downstream Products
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• 4-(FLUOROMETHYL)BENZOYLFORMATE

  Cas No: 114996-72-4

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114996-72-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 114996-72-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,9,9 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 114996-72:
(8*1)+(7*1)+(6*4)+(5*9)+(4*9)+(3*6)+(2*7)+(1*2)=154
154 % 10 = 4
So 114996-72-4 is a valid CAS Registry Number.

InChI:InChI=1/C9H7FO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4H,5H2,(H,12,13)

114996-72-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	2-[4-(fluoromethyl)phenyl]-2-oxoacetic acid

1.2 Other means of identification

Product number	-
Other names	FMeBF

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:114996-72-4 SDS

114996-72-4Upstream product

• 168104-57-2 ethyl (4-fluromethyl)benzoylformate 
• 76590-57-3 ethyl 2-[4-(bromomethyl)phenyl]-2-oxoacetate 

114996-72-4Downstream Products

• 168104-59-4 (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-α-hydroxy-α-<4-(fluoromethyl)phenyl>benzeneacetate 
• 168104-61-8 (R)-α-hydroxy-α-<4-(fluoromethyl)phenyl>benzeneacetic acid 

114996-72-4Relevant articles and documents

Syntheses and biological properties of chiral fluoroalkyl quinuclidinyl benzilates

Kiesewetter,Silverton,Eckelman

, p. 1711 - 1719 (2007/10/02)

Previously, (R)-quinuclidinyl (R)-4-iodobenzilate ((R,R)-IQNB), a muscarinic receptor antagonist, has been labeled with 123I and 125I for use in in vitro and in vivo studies in animals and humans. We have prepared fluoroalkyl analogs of QNB, which are amenable to labeling with 18F, for potential imaging applications with positron emission tomography. The enantiomers of (fluoroalkyl)benzilic acids were prepared via an enantioselective Grignard addition reaction. Subsequent coupling of the enantiomeric (fluoroalkyl)benzilic acid with a selected enantiomer of quinuclidinol provides fluorinated analogs of QNB with known stereochemistry at each of the stereogenic centers. These compounds exhibit different affinities for the muscarinic receptor tissue subtypes in vitro. (R,R)-4- (Fluoromethyl)-QNB, (R,R)-IQNB, and (R,R)-4-(fluoroethyl)-QNB exhibit selectivity for the M1 subtype, and (R,S)-4-(fluoromethyl)-QNB exhibits selectivity for the M2 subtype.

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