Grundinformationen
- Standard-SMILES
OCC(CBr)(CBr)CBr- InChIKey
QEJPOEGPNIVDMK-UHFFFAOYSA-N- Summenformel
- C5H9Br3O
- Durchschnittliche Molmasse
- 324,84 g/mol
- Monoisotopische Masse
- 321,82035121
Überblick
3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Pentaerythritol tribromide
- IUPAC
- 3-bromo-2,2-bis(bromomethyl)propan-1-ol
- Englischer Name
- 3-Bromo-2,2-bis(bromomethyl)propanol
- Summenformel
- C5H9Br3O
- Molmasse
- 324.84
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1522-92-5、36483-57-5- PubChem CID
- 15206
- DTXSID
DTXSID9024641- ChEMBL
CHEMBL1497987- UNII
- 8HZ2FQ3KUC
- EC Number
- 622-370-8
- Nikkaji
- J111.581B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 64,3
Experimentelle und physikochemische Eigenschaften
Physical Description
3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992)
Liquid; CBI; Dry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 64 · 64-66°C
- Siedepunkt
- 131 °C · 131 °C / 2.5mmHg
- Dichte
- 2.192 · 2.192±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Soluble), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.73 · 13.73±0.10(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- Insoluble (<0.1 g/100 mL at 21.5 ºC)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
- InChIKey
- QEJPOEGPNIVDMK-UHFFFAOYSA-N
- SMILES
- C(O)C(CBr)(CBr)CBr
- CAS Datenbank
- 1522 · 1522-92-5(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Bromo-2,2-bis(bromomethyl)propanol (1522-92-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Hazard Traits - Hazard Trait Undefined
1-Propanol, 2,2-dimethyl-, tribromo deriv. is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2,2-dimethyl-, tribromo deriv. are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1-Propanol, 2,2-dimethyl-, tribromo deriv.: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
A brominated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Hazard Classes and Categories
Eye Irrit. 2A (97.7%)
Serious eye damage/eye irritation - Category 1
Serious eye damage/eye irritation - Category 1
Carc. 1B
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- hs_code
- 2905599890
- RTECS-Nr.
- UA7410000
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
1-Propanol, 2,2-dimethyl-, tribromo deriv.: ACTIVE
Anwendungen
VerwendenTribromoneopentanol is an brominated flame retardant, previously shown to be a multisite carcinogen in experimental animals.
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