Bendiocarb phenol

HCID 62765CAS 22961-82-6

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Grundinformationen

Standard-SMILES: CC1(C)Oc2cccc(O)c2O1
InChIKey: CSSWBRMYHJVCPZ-UHFFFAOYSA-N
Summenformel: C9H10O3
Durchschnittliche Molmasse: 166,17 g/mol
Monoisotopische Masse: 166,06299418

Namen und Bezeichner

Bevorzugter Name: Bendiocarb phenol
IUPAC: 2,2-dimethyl-1,3-benzodioxol-4-ol
Englischer Name: 2,2-dimethylbenzo[1,3]dioxol-4-ol
Summenformel: C9H10O3
Molmasse: 166.17

Namen und Synonyme

Bendiocarb phenol22961-82-62,2-Dimethyl-1,3-benzodioxol-4-ol1,3-Benzodioxol-4-ol, 2,2-dimethyl-DTXSID3066845RefChem:561246DTXCID80367821,3Benzodioxol4ol, 2,2dimethyl400-900-72,2-dimethyl-2H-1,3-benzodioxol-4-ol2,2-dimethyl-1,3-dioxaindan-4-olMFCD00667010

Weitere Namen anzeigen

2,2-dimethylbenzo[1,3]dioxol-4-ol2, 2-Dimethyl-4-hydroxy-1,3-benzodioxole

2,2-dimethylbenzo[d][1,3]dioxol-4-ol2,2-Dimethyl-4-hydroxy-1,3-benzodioxoleBendiocarb-phenolRCRA waste no. U364SCHEMBL3156898XAA961822,2-Dimethyl-4-hydroxybenzodioxolaneAKOS006272815

Datenbank-Bezeichner

CAS: 22961-82-6
PubChem CID: 62765
DTXSID: DTXSID3066845
EC Number: 400-900-7
Nikkaji: J743.942C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 179

Experimentelle und physikochemische Eigenschaften

Physical Description · 2 Einträge

Bendiocarb phenol is a white crystalline solid.

White solid; [CAMEO]

Kovats Retention Index1277

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-93 °C
Siedepunkt: 239.6 · 239.6±29.0 °C(Predicted)
Dichte: 1.208 · 1.208±0.06 g/cm3(Predicted)
pka: 9.61 · 9.61±0.40(Predicted)
EPA chemische Informationen: Bendiocarb phenol (22961-82-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Regulatory InformationThe 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.)

Hazards SummarySee Bendiocarb.

Reactive GroupEthers；Phenols and Cresols

Reactivity Profile · 1 Eintrag

BENDIOCARB PHENOL is a 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.

Air and Water ReactionsHydrolyzes rapidly in alkaline media and decomposes above 125 °C.

Hazard Classes and Categories · 3 Einträge

Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Eye damage - category 1

Eye Dam. 1