Basic information
- CAS
92-83-1- Standard SMILES
c1ccc2c(c1)Cc1ccccc1O2- InChIKey
GJCOSYZMQJWQCA-UHFFFAOYSA-N- Molecular formula
- C13H10O
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.07316494
Overview
9H-xanthene is a xanthene. It is a tautomer of a 3H-xanthene and a 4aH-xanthene.
Names & identifiers
- Preferred name
- Xanthene
- IUPAC
- 9H-xanthene
- English name
- Xanthene
- Molecular formula
- C13H10O
- Molecular weight
- 182.22
Names & synonyms
9H-XantheneXANTHENEXanthanDibenzo[a,e]pyranEINECS 202-194-4BRN 01339399-oxa-9,10-dihydroanthraceneUNII-A762Z8101YCHEBI:10057AI3-01544Dibenzopyran, tricyclicNSC-46931
Show more names
XanthaneXANTHENE 99%DIBENZOPYRANXanthene,98%Xanthene ,99%Dibenzo-gamma-pyran
A762Z8101YDTXSID1059070Dibenzo(a,e)pyran5-17-02-00252 (Beilstein Handbook Reference)9HXanthene10H9OxaanthraceneRefChem:195107DTXCID9048778
Database identifiers
- CAS
92-83-1- PubChem CID
- 7107
- DTXSID
DTXSID1059070- ChEMBL
CHEMBL486760- ChEBI
CHEBI:10057- UNII
- A762Z8101Y
- EC Number
- 202-194-4
- Nikkaji
- J24.853C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
PesticidesPesticides -> Fungicides
LogP4.23
Vapor Pressure0.000847 [mmHg]
Physical DescriptionWhite or light yellow solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 101 · 101-102 °C(lit.)
- Boiling point
- 310 · 310-312 °C(lit.)
- Density
- 1.0368 · 1.0368 (rough estimate)
- refractive index
- 1.5994 · 1.5994 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 30 · 30
- color
- White to Light yellow to Dark green
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information9H-Xanthene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation and skin sensitization; [Sigma-Aldrich MSDS] PubMed search for (92-83-1[EC/RN Number]) AND (allergic or sensitizer or sensitization or dermatitis): no results; [PubMed]
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZD5520000
- hs_code
- 29181100
- risk_code
- 42/43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9H-Xanthene: ACTIVE
Applications
UsesXanthene is useful for the preparation of CoIV-Dinitrate Complex.
UsesOrganic synthesis, fungicide.
General DescriptionXanthene (10H-9-oxaanthracene) is a heterocyclic compound generally used as an important building block in organic synthesis. It is a core moiety of many dyes likefluorescein, eosins, and rhodamines.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
26 records
Compound notes
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