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Home> Encyclopedia > Hot Product Listed B   > baicalein
491-67-8 structure

baicalein

Iupac Name:5,6,7-trihydroxy-2-phenylchromen-4-one
CAS No.:491-67-8
Molecular Weight:270.23700
Molecular Formula:C15H10O5 (isomer)
Names and Identifiers
Synonyms

27462-75-5 3WL 491-67-8 491B678 49QAH60606 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl- 4H-1-BENZOPYRAN-4-ONE,5,6,7-TRIHYDROXY-2-PHENYL 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-phenyl- 5,6,7-Trihydroxy-2-phenyl-(4H)-1-benzopyran-4-one 5,6,7-trihydroxy-2-phenyl-4-chromenone hydrate 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one 5,6,7-Trihydroxy-2-phenyl-chroman-4-one 5,6,7-trihydroxy-2-phenyl-chromen-4-one 5,6,7-trihydroxy-2-phenylchromen-4-one 5,6,7-TRIHYDROXYFLAVONE 5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Trihydroxyflavone AB0018364 AC1NQYPP AC-7991 AK168078 AKOS005747014 ALBB-028286 AN-8474 Baicalein - CAS 491-67-8 - Calbiochem Baicalein 98% BAICALEIN(SH)NOW RG GRADE Baicalein, 14 Baicalein, 8 Baicalein, 98% Baicalein, analytical reference material Baicalein, disposable screening library format Baicalein, monohydrate, 5,6,7-Trihydroxy-2-phenyl-4H-chromen-4-one monohydrate Baicalein,(S) Baicalin Baicelein BaiKalein BBL027840 BCP14393 BDBM50009001 Biacalein BIDD:ER0121 BRD-K72327355-001-02-2 BRD-K72327355-001-06-3 BSPBio_003215 C10023 CCG-38705 CHEBI:2979 CHEMBL8260 CS-6159 DivK1c_006854 DTXSID2022389 FT-0622548 FXNFHKRTJBSTCS-UHFFFAOYSA-N GTPL5144 HMS1922O22 HMS2267F15 HMS3268C22 HMS3649O19 HMS3655P18 HMS3676F14 HY-N0196 IN1408 KBio1_001798 KBio2_000907 KBio2_003475 KBio2_006043 KBio3_002435 KBioGR_001173 KBioSS_000907 LMPK12111095 LS-39842 MCULE-8669340472 MFCD00017459 MLS002473007 MLS006011756 N1858 NCGC00017236-01 NCGC00017236-02 NCGC00017236-03 NCGC00017236-04 NCGC00017236-05 NCGC00017236-06 NCGC00017236-07 NCGC00017236-08 NCGC00017236-10 NCGC00025282-01 NCGC00025282-02 NCGC00025282-03 NCGC00025282-04 NCGC00178204-01 Noroxylin NSC 661431 NSC661431 NSC-661431 NSC729192 NSC-729192 Oprea1_765614 Q-100550 S00113 s2268 SBB067246 SC-04798 SC-20654 SCHEMBL139617 SDCCGMLS-0066744.P001 Sho-saiko-to SMP1_000037 SMR000112462 SPBio_000572 SpecPlus_000758 Spectrum_000427 SPECTRUM1504002 Spectrum2_000466 Spectrum3_001608 Spectrum4_000537 Spectrum5_001418 SR-01000597499 SR-01000597499-1 SR-01000597499-3 SR-01000597499-4 SR-01000597499-6 ST057152 STL146746 SW219229-1 TNP00121 Tocris-1761 UNII-49QAH60606 W-202870 W-2736 ZINC3871633

Inchi
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChkey
FXNFHKRTJBSTCS-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O
Isomers Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H]
(O4)C(=O)O)O)O)O)O)O
Properties
Appearance
Yellow Crystalline Solid
Density
1.548 g/cm3
Melting Point
256-271°C(lit.)
Boiling Point
575.9ºC at 760 mmHg
Vapour
8.55E-18mmHg at 25°C
Flash Point
225.2ºC
Solubility
Soluble to 50 mM in DMSO
HS Code
2932999099
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26-S36
Safety
Hazard Codes:Xi,Xn
Risk Statements:36/37/38-20/21/22
36/37/38:Irritating to eyes, respiratory system and skin
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
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
WGK Germany:3
Hazard Note:Irritant
Specification

Yellow Crystalline Solid
usageEng:An inhibitor of 12-lipoxygenase, leukotriene biosynthesis and release of lysosomal enzymes. It also inhibits cellular Ca2+ uptake and mobilization and adjuvant-induced arthritis. Baicalein is the flavonoid component of Nepalese and Sino-Japanese crude d
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
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:270.23700g/mol
  • Molecular Formula:C15H10O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.7
  • Exact Mass:270.053
  • Monoisotopic Mass:270.053
  • Complexity:413
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:87A^2
  • Heavy Atom Count:20
  • 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: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCI AqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWGl4BUJuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAA AA==
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