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Home> Encyclopedia > Hot Product Listed 2   > 2-Benzoylpyridine
91-02-1 structure

2-Benzoylpyridine

Iupac Name:phenyl(pyridin-2-yl)methanone
CAS No.:91-02-1
EINECS(EC#): 202-034-3
Molecular Weight:183.21
Molecular Formula:C12H9NO (isomer)
Names and Identifiers
Synonyms

AKOS 94378 AKOS B022444 ketone,phenyl2-pyridyl Phenyl(2-pyridinyl)methanone PHENYL(PYRIDIN-2-YL)METHANONE phenyl-2-pyridinyl-methanon Pyridine, 2-benzoyl-

Inchi
InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
InChkey
GCSHUYKULREZSJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
Properties
Appearance
White to pale yellowish crystals
Density
1,556 g/cm3
Melting Point
41-43 °C(lit.)
Boiling Point
317 °C(lit.)
Refractive Index
1.5880 (estimate)
Flash Point
302 °F
Solubility
Insoluble
Color/Form
Colorless to slightly yellow
HS Code
29333999
Safety and Handling
Hazard Codes
Xi
Risk Statements
36/37/38
Safety Statements
26-36
Safety

Hazard Codes:  Xi
Risk Statements:  36/37/38 
36/37/38:  Irritating to eyes, respiratory system and skin
Safety Statements:  26-36 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Toxicity
1.    

ipr-mus LD50:475 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 14 (1971),551.
Transport
25kgs
Specification

COLOURLESS TO SLIGHTLY YELLOW CRYSTALLINE CHUNKS
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:183.21g/mol
  • Molecular Formula:C12H9NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:183.068
  • Monoisotopic Mass:183.068
  • Complexity:197
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAAAAAADAzBngQ8gJIIEACo A7R3RACCgCA3AiAI2CG4ZNgIIPLAlbGEIQhggADIyYcYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:025-87151129
  • Fax:0086-25- 87151120
  • Tel:+91(22) 24921669
  • Fax:+91(22) 24950364
  • Tel:+49-(69)-4109 2191
  • Fax:+49-(69)-41092192
  • Tel:+32-(14)-57 52 11
  • Fax:+32-(14)-59 26 10
  • Tel:+49-(8102)-802-0
  • Fax:+49-(8102)-802-175
 
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