4-Pyridin-3-yl-benzoic acid

Modify Date: 2024-01-05 18:59:42

4-Pyridin-3-yl-benzoic acid Structure
4-Pyridin-3-yl-benzoic acid structure
Common Name 4-Pyridin-3-yl-benzoic acid
CAS Number 4385-75-5 Molecular Weight 199.205
Density 1.2±0.1 g/cm3 Boiling Point 398.8±25.0 °C at 760 mmHg
Molecular Formula C12H9NO2 Melting Point 271-274
MSDS N/A Flash Point 195.0±23.2 °C

 Names

Name 4-pyridin-3-ylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 398.8±25.0 °C at 760 mmHg
Melting Point 271-274
Molecular Formula C12H9NO2
Molecular Weight 199.205
Flash Point 195.0±23.2 °C
Exact Mass 199.063324
PSA 50.19000
LogP 2.43
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.613

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-(3-Pyridyl)benzoic acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:4-(3-Pyridyl)benzoic acid
CAS number:4385-75-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C12H9NO2
Molecular weight:199.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2933399090

 Synthetic Route

~85%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: LEAD THERAPEUTICS, INC. Patent: US2009/197863 A1, 2009 ; Location in patent: Page/Page column 73-74 ;

~96%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Beavers, Lisa Selsam; Finley, Don Richard; Finn, Terry Patrick; Gadski, Robert Alan; Hipskind, Philip Arthur; Hornback, Wiliam Joseph; Jesudason, Cynthia Darshini; Pickard, Richard Todd; Takakuwa, Takako; Vaught, Grant Mathews Patent: US2010/48580 A1, 2010 ; Location in patent: Page/Page column 14; 15 ; US 20100048580 A1

~73%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Halazy, Serge; Quattropani, Anna; Scheer, Alexander; Schwarz, Mattias; Thomas, Russell; Baxter, Antony Patent: US2003/212012 A1, 2003 ;

~77%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Halazy, Serge; Quattropani, Anna; Bombrun, Agnes; Schwarz, Mattias; Thomas, Russel; Baxter, Anthony Patent: US2003/171309 A1, 2003 ;

~%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Park, Hyeung-Geun; Choi, Ji-Yeon; Kim, Mi-Hyun; Choi, Sea-Hoon; Park, Mi-Kyung; Lee, Jihye; Suh, Young-Ger; Cho, Hawon; Oh, Uhtaek; Kim, Hee-Doo; Joo, Yung Hyup; Shin, Song Seok; Kim, Jin Kwan; Jeong, Yeon Su; Koh, Hyun-Ju; Park, Young-Ho; Jew, Sang-Sup Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 3 p. 631 - 634

~%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Takeda Chemical Industries, Ltd. Patent: US6359134 B1, 2002 ; Location in patent: Referential example 13 ; US 6359134 B1

~%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Park, Hyeung-Geun; Choi, Ji-Yeon; Kim, Mi-Hyun; Choi, Sea-Hoon; Park, Mi-Kyung; Lee, Jihye; Suh, Young-Ger; Cho, Hawon; Oh, Uhtaek; Kim, Hee-Doo; Joo, Yung Hyup; Shin, Song Seok; Kim, Jin Kwan; Jeong, Yeon Su; Koh, Hyun-Ju; Park, Young-Ho; Jew, Sang-Sup Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 3 p. 631 - 634

~%

4-Pyridin-3-yl-benzoic acid Structure

4-Pyridin-3-yl-...

CAS#:4385-75-5

Literature: Guiles, Joseph W.; Johnson, Sigmond G.; Murray, William V. Journal of Organic Chemistry, 1996 , vol. 61, # 15 p. 5169 - 5171

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-(3-Pyridinyl)benzoic acid
Benzoic acid, 4-(3-pyridinyl)-
4-pyrid-3-ylbenzoic acid
MFCD03426513
3-pyridin-4-yl-benzoic acid
4-(Pyridin-3-yl)benzoic acid
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