Basic information
- CAS
1504-78-5- Standard SMILES
O=c1[nH]c2ccccc2nc1-c1ccccc1- InChIKey
ZBBQSGVRBQKLLE-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Overview
3-phenyl-1H-quinoxalin-2-one is a quinoxaline derivative.
Names & identifiers
- Preferred name
- 3-Phenylquinoxalin-2(1H)-one
- IUPAC
- 3-phenyl-1H-quinoxalin-2-one
- English name
- 3-PHENYLQUINOXALIN-2(1H)-ONE
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
3-Phenylquinoxalin-2(1H)-one1504-78-53-Phenyl-1H-quinoxalin-2-one3-phenylquinoxalin-2-ol3-Phenyl-1,2-dihydroquinoxalin-2-one3-Phenyl-2(1H)-quinoxalinone3-phenylquinoxalin-2-(1h)-one3-Phenyl-2-quinoxaloneMFCD00798377MLS0007784712(1H)-Quinoxalinone, 3-phenyl-SMR000415265
Show more names
BUTTPARK 44\07-063-Phenylquinoxalin-2-(1H)-one 97%
3-phenylhydroquinoxalin-2-oneF1492-00182(1H)-Quinoxalinone,3-phenyl-NSC4052643-phenyl-2-quinoxalinolhydroxyl phenylquinoxalineChemDiv2_0040713-Phenyl-quinoxalin-2-ol
Database identifiers
- CAS
1504-78-5- PubChem CID
- 346902
- DTXSID
DTXSID60323944- ChEMBL
CHEMBL1392897- ChEBI
CHEBI:108113- EC Number
- 672-832-8
- Nikkaji
- J466.201F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 169 °C · 169 °C
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 9.45 · 9.45±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers16 total
奥思恩（北京）科技有限公司18201687790 18201687790 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
上海郁榕新材料有限公司18221840760 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
北京迪泰医药科技有限公司010-13810111756 13011240343 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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