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4385-76-6

4385-76-6 structure
4385-76-6 structure
  • Name: 4-Pyridin-4-yl-benzoic acid
  • Chemical Name: 4-(4-Pyridyl)Benzoic Acid
  • CAS Number: 4385-76-6
  • Molecular Formula: C12H9NO2
  • Molecular Weight: 199.205
  • Create Date: 2018-02-14 08:00:00
  • Modify Date: 2024-01-02 12:41:57

Name 4-(4-Pyridyl)Benzoic Acid
Synonyms 4-Pyridin-4-yl-benzoic acid
4-(4-Pyridinyl)benzoic acid
T6NJ DR DVQ
MFCD03426513
4-pyrid-4-ylbenzoic acid
4-Pyridin-4-ylbenzoic acid
4-(4-Pyridyl)benzoic acid
Benzoic acid, 4-(4-pyridinyl)-
4-(pyridin-4-yl)benzoic acid
Density 1.2±0.1 g/cm3
Boiling Point 384.3±25.0 °C at 760 mmHg
Melting Point >300°C
Molecular Formula C12H9NO2
Molecular Weight 199.205
Flash Point 186.2±23.2 °C
Exact Mass 199.063324
PSA 50.19000
LogP 2.36
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.613
Material Safety Data Sheet

Section1. Identification of the substance
4-Pyrid-4-ylbenzoic acid
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
4-Pyrid-4-ylbenzoic acid
Ingredient name:
CAS number:4385-76-6

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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.
Storage:Store in closed vessels.

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
Not specified
Appearance:
Boiling point:No data
Melting point:No data
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
Hazard Codes Xi
Risk Phrases R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases S26-S36/37/39-S22
HS Code 2933399090

~98%

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Literature: Holzer, Marcel; Ziegler, Sigrid; Neugebauer, Alexander; Kronenberger, Bernd; Klein, Christian D.; Hartmann, Rolf W. Archiv der Pharmazie, 2008 , vol. 341, # 8 p. 478 - 484

~93%

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Literature: Jary, Walther; Poechlauer, Peter; Ganglberger, Thorsten Patent: US2003/216577 A1, 2003 ; Location in patent: Page/Page column 5 ;

~58%

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Literature: Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 73 ;

~%

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4385-76-6

Literature: SmithKline Beecham Corporation Patent: US6399656 B1, 2002 ; US 6399656 B1

~89%

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Literature: Takeda Chemical Industries, Ltd. Patent: US6359134 B1, 2002 ; Location in patent: Referential example 25 ; US 6359134 B1

~66%

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Literature: Lawson Daku, Kokovi M.; Newton, Roger F.; Pearce, Simon P.; Vile, Julia; Williams, Jonathan M. J. Tetrahedron Letters, 2003 , vol. 44, # 27 p. 5095 - 5098

~%

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Literature: Gong, Yong; Pauls, Henry W. Synlett, 2000 , # 6 p. 829 - 831

~%

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4385-76-6

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

~%

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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
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%