Grundinformationen
- Standard-SMILES
CC(C)(C)OCl- InChIKey
IXZDIALLLMRYOU-UHFFFAOYSA-N- Summenformel
- C4H9ClO
- Durchschnittliche Molmasse
- 108,57 g/mol
- Monoisotopische Masse
- 108,03419259
Überblick
Tert-butyl hypochlorite appears as a slightly yellowish liquid with a pungent odor. Water insoluble. Corrosive to the skin, eyes, and mucous membranes.
Namen und Bezeichner
- Bevorzugter Name
- Tert-Butyl hypochlorite
- IUPAC
- tert-butyl hypochlorite
- Lokaler Name
- tert-Butylhypochlorit
- Englischer Name
- tert-Butyl Hypochlorite
- Summenformel
- C4H9ClO
- Molmasse
- 108.57
Namen und Synonyme
tert-BUTYL HYPOCHLORITEHypochlorous acid, 1,1-dimethylethyl esterUNII-LS2JTI16JZLS2JTI16JZEINECS 208-072-7DTXSID3074941TERT-BUTYL HYPOCHLORITE [MI]1,1-Dimethylethyl HypochloriteRefChem:188203DTXCID1040900HYPOCHLOROUS ACID, TERT-BUTYL ESTER208-072-7
Weitere Namen anzeigen
HypochLtert-C4H9OCltert-Butoxy chlorideorous Acid tert-ButyLtert-ButylHypochlorite>2-chlorosyl-2-methylpropane
507-40-4Hypochlorous Acid tert-Butyl Estert-Butyl hypochloritetert-butylhypochloritet-butoxy chlorot-butoxychloridetBuOClt-butyloxychloride
Datenbank-Bezeichner
- CAS
507-40-4- PubChem CID
- 521297
- DTXSID
DTXSID3074941- UNII
- LS2JTI16JZ
- EC Number
- 208-072-7
- Nikkaji
- J9.573G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 37,3
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Physical DescriptionTert-butyl hypochlorite appears as a slightly yellowish liquid with a pungent odor. Water insoluble. Corrosive to the skin, eyes, and mucous membranes.
Physikochemische Eigenschaften
- Siedepunkt
- 79.6 ℃ · 79.6℃ (750 Torr)
- Dichte
- 0.96 · 0.96
- Brechungsindex
- 1.401 · 1.4010-1.4050
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Pale Yellow to Yellow
- Merck
- 14 · 14,1571
- Stabilität
- 10 C · Unstable. Light-sensitive. Highly flammable. Incompatible with strong oxidizing agents. Keep refrigerated below 10 C.
- InChI
- InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3
- InChIKey
- IXZDIALLLMRYOU-UHFFFAOYSA-N
- SMILES
- ClOC(C)(C)C
- EPA chemische Informationen
- 1 · Hypochlorous acid, 1,1-dimethylethyl ester (507-40-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P220, P222, P231, P233, P240, P241, P242, P243, P260, P264, P271, P280, P283, P284, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P306+P360, P316, P321, P342+P316, P363, P370+P378, P371+P380+P375, P403, P403+P235, P405, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Hypochlorous acid, 1,1-dimethylethyl ester
Status: Active Update: 14-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27424
DOT LabelSpontaneously Combustible Corrosive
Fire Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Fire will produce irritating, corrosive and/or toxic gases.
DOT ID and Guide3255 135
Reactive GroupOxidizing Agents, Strong
Reactivity AlertsStrong Oxidizing Agent
Reactivity Profile
TERT-BUTYL HYPOCHLORITE decomposes exothermically when exposed to UV light to give acetone and chloromethane. Glass containers have burst because of pressure buildup after exposure to fluorescent lighting or daylight. Reacts violently with rubber. Should not be heated to its boiling point.
DOT Hazard Classification
tert-Butyl hypochlorite
UN3255
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great
Air and Water ReactionsMay ignite on contact with air or moist air. May burn rapidly with flare-burning effect. Water insoluble. Decomposed exothermically by water with the evolution of toxic chlorine gas.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Isolation and Evacuation
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Emergency Response Planning Guidelines· DO NOT USE WATER, CO2 OR FOAM ON MATERIAL ITSELF.
Sicherheitsdaten
- ridadr
- UN 3255
- hs_code
- 29209090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- 4.2
- packing_group
- I
Chemie und Industrie
Anwendungen
VerwendenDehydration of alcohols; N- and C-chlorinations.
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