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3-Cyclopropylbenzoic acid, with the IUPAC name 3-Cyclopropylbenzenecarboxylic acid and molecular formula C10H12O2, is an aromatic homomonocyclic compound and a type of benzoic acid. This organic compound is characterized by its unique cyclopropyl group attached to a benzene ring and possesses a molecular weight of 164.20 g/mol. Identified through various IDs such as the InChI Key (GZRTDRALRRRQDH-UHFFFAOYSA-N) and CAS number (44243-04-3), it has a monoisotopic mass of 164.0837 g/mol. However, specific uses or effects of 3-Cyclopropylbenzoic acid are not well-documented in the available literature.

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  • 1129-06-2 Structure
  • Basic information

    1. Product Name: 3-Cyclopropylbenzoic acid
    2. Synonyms: Benzoicacid, m-cyclopropyl- (7CI,8CI);3-Cyclopropylbenzoic acid;NSC 135140;
    3. CAS NO:1129-06-2
    4. Molecular Formula: C10H10O2
    5. Molecular Weight: 162.18
    6. EINECS: N/A
    7. Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het
    8. Mol File: 1129-06-2.mol
  • Chemical Properties

    1. Melting Point: 119-120 °C
    2. Boiling Point: 312.2 °C at 760 mmHg
    3. Flash Point: 142.4 °C
    4. Appearance: /
    5. Density: 1.248 g/cm3
    6. Vapor Pressure: 0.000229mmHg at 25°C
    7. Refractive Index: 1.612
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 4.27±0.10(Predicted)
    11. CAS DataBase Reference: 3-Cyclopropylbenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-Cyclopropylbenzoic acid(1129-06-2)
    13. EPA Substance Registry System: 3-Cyclopropylbenzoic acid(1129-06-2)
  • 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: 1129-06-2(Hazardous Substances Data)

1129-06-2 Usage

Uses

Due to the limited information on the specific applications of 3-Cyclopropylbenzoic acid, it is challenging to list its uses accurately. However, based on its chemical structure and classification, it can be inferred that 3-Cyclopropylbenzoic acid may have potential applications in various industries, such as:
Used in Pharmaceutical Industry:
3-Cyclopropylbenzoic acid could be used as a building block or intermediate in the synthesis of pharmaceutical compounds, given its aromatic and carboxylic acid functional groups. These groups can be further modified or reacted to create new molecules with potential therapeutic properties.
Used in Chemical Synthesis:
As an aromatic compound with a cyclopropyl group, 3-Cyclopropylbenzoic acid may be utilized in the synthesis of various organic compounds, including agrochemicals, dyes, and other specialty chemicals. Its unique structure could provide novel reactivity or selectivity in chemical reactions.
Used in Materials Science:
The incorporation of 3-Cyclopropylbenzoic acid into polymers or other materials could potentially influence their properties, such as stability, solubility, or mechanical strength. Its aromatic and cyclopropyl groups may contribute to the formation of specific interactions or structures within the material.

Check Digit Verification of cas no

The CAS Registry Mumber 1129-06-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 9 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1129-06:
(6*1)+(5*1)+(4*2)+(3*9)+(2*0)+(1*6)=52
52 % 10 = 2
So 1129-06-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)

1129-06-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-cyclopropylbenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid,3-cyclopropyl

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:1129-06-2 SDS

1129-06-2Relevant articles and documents

CHEMICAL COMPOUNDS

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Page/Page column 55-56, (2008/06/13)

The invention relates to chemical compounds, or pharmaceutically acceptable salts thereof of the formula which possess CSF 1R kinase inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS

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Page/Page column 66-67, (2008/06/13)

The invention relates to chemical compounds of the formula (I): or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

QUINOXALINES AS B RAF INHIBITORS

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Page/Page column 73-74, (2010/11/08)

The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

NEW COMPOUNDS

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Page 136-137, (2010/02/06)

The present invention relates to new compounds of formula I, (I) a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.

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