2,3-Dihydro-2,2-dimethylbenzofuran-7-ol
2,3-Dihydro-2,2-dimethyl-7-benzofuranol
Grundinformationen
- CAS
1563-38-8- Standard-SMILES
CC1(C)Cc2cccc(O)c2O1- InChIKey
WJGPNUBJBMCRQH-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Überblick
Carbofuran phenol is an odorless, white crystalline solid.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
- IUPAC
- 2,2-dimethyl-3H-1-benzofuran-7-ol
- Lokaler Name
- 2,3-Dihydro-2,2-dimethylbenzofuran-7-ol
- Englischer Name
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1563-38-8- PubChem CID
- 15278
- DTXSID
DTXSID2027414- ChEMBL
CHEMBL2259976- ChEBI
CHEBI:38474- UNII
- 772HS1899G
- EC Number
- 216-350-4
- Nikkaji
- J7.515I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 177
Experimentelle und physikochemische Eigenschaften
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide degradation product
Physical Description
Carbofuran phenol is an odorless, white crystalline solid.
White odorless solid; [CAMEO]
Physikochemische Eigenschaften
- Siedepunkt
- 95 °C · 95°C 1mm
- Dichte
- 1.101 g/mL · 1.101 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.541(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Sparingly)
- Aggregatzustand
- Oil
- pka
- 10.1 · 10.10±0.40(Predicted)
- Wichte
- 1.101 · 1.101
- Farbe
- Colourless
- InChI
- 1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
- InChIKey
- WJGPNUBJBMCRQH-UHFFFAOYSA-N
- SMILES
- CC1(C)Cc2cccc(O)c2O1
- CAS Datenbank
- 1563 · 1563-38-8(CAS DataBase Reference)
- NIST chemische Informationen
- 7 · 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-(1563-38-8)
- EPA chemische Informationen
- 2 · 2,3-Dihydro-2,2-dimethyl-7-benzofuranol (1563-38-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Hazard Traits - Hazard Trait Undefined
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
FIFRA Requirements
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR CUCUMBERS 0.4 PPM, MELONS 0.4 PPM, PUMPKINS 0.8 PPM, & SQUASH 0.8 PPM.
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR FRESH CORN 1.0 PPM.
Reactivity Profile
CARBOFURAN PHENOL, Compounds in this group do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing agents such as hydrides, nitrides, alkali metals, and inorganic sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock.
Sicherheit und Schutzausrüstung
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
7-Hydroxycarbofuran
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Regulatorische Informationen
FIFRA Requirements
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR CUCUMBERS 0.4 PPM, MELONS 0.4 PPM, PUMPKINS 0.8 PPM, & SQUASH 0.8 PPM.
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR FRESH CORN 1.0 PPM.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 2932990090
- RTECS-Nr.
- DF7708985
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 9
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 1563-38-8(Hazardous Substances Data)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
ALFALFA CONTAINING CARBOFURAN RESIDUES WAS ADMIN TO A COW. THESE RESIDUES WERE METABOLIZED AND EXCRETED AS SULFATES OF 3-KETO-7-PHENOL (65%), THE 7-PHENOL (9.4%) AND THE 3,7-DIOL (6.4%).
(14)C-CARBOFURAN WAS APPLIED TO SOLN IN WHICH THE ROOTS OF 3-4 YEAR OLD MUGHO PINE WERE IMMERSED. ... IN ADDN TO TWO UNIDENTIFIED COMPD, CARBOFURAN PHENOL AND LESSER AMOUNTS OF 3-HYDROXYFURAN AND 3-KETOCARBOFURAN PHENOL WERE PRESENT.
RATS WITH THEIR BILE DUCTS CANNULATED WERE GIVEN AN ORAL DOSE OF RING-LABELED CARBOFURAN; WITHIN 48 HR THEY HAD EXCRETED 28.5% OF THE DOSE IN THEIR BILE, 65.4% IN THEIR URINE, AND 0.4% IN THEIR FECES. ...THE RELEASED COMPD...INCLUDED...CARBOFURAN PHENOL...
Verwendung und Herstellung
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Transformation products
Anwendungen
Verwenden2,3-Dihydro-2,2-dimethyl-7-benzofuranol was used as starting reagent in the preparation of aminoalkanol derivatives of 2,3-dihydro-2,2-dimethyl-7-benzofuranol.
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