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6-Hydroxy-2-benzoxazolinone - ≥97%, high purity , CAS No.78213-03-3

COA COA
    Grade & Purity:
  • ≥97%
In stock
Item Number
H343182
Grouped product items
SKU Size
Availability
 Price Qty
H343182-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$169.90
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a heterocyclic building block

Basic Description

Synonyms FT-0691221 | NCIMech_000107 | NSC603719 | NSC-603719 | 6-hydroxybenzoxazolin-2(3h)-one | 6-Hydroxy-2-benzoxazolinone 97 | NCI60_004604 | SCHEMBL241569 | STL434344 | SCHEMBL17265862 | 6-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE | CCG-35345 | BS-24460 | 6-Hydroxy-2(
Specifications & Purity ≥97%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzoxazoles
Subclass Benzoxazolones
Intermediate Tree Nodes Not available
Direct Parent Benzoxazolones
Alternative Parents 1-hydroxy-2-unsubstituted benzenoids  Oxazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzoxazolone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors Not available

Associated Targets(Human)

A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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HOP-62 (47048 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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NCI-H522 (44358 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 6-hydroxy-3H-1,3-benzoxazol-2-one
INCHI InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey XIYXDPMPFOQCFW-UHFFFAOYSA-N
Smiles C1=CC2=C(C=C1O)OC(=O)N2
Isomeric SMILES C1=CC2=C(C=C1O)OC(=O)N2
WGK Germany 3
Molecular Weight 151.12
Reaxy-Rn 136287
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136287&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Melt Point(°C) >300° C (lit.)
Molecular Weight 151.120 g/mol
XLogP3 0.800
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 151.027 Da
Monoisotopic Mass 151.027 Da
Topological Polar Surface Area 58.600 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 183.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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