Grundinformationen
- Standard-SMILES
O=CC(Br)(Br)Br- InChIKey
YTGSYRVSBPFKMQ-UHFFFAOYSA-N- Summenformel
- C2HBr3O
- Durchschnittliche Molmasse
- 280,74 g/mol
- Monoisotopische Masse
- 277,75775095
Überblick
RN in first source
Namen und Bezeichner
- Bevorzugter Name
- Tribromoacetaldehyde
- IUPAC
- 2,2,2-tribromoacetaldehyde
- Englischer Name
- Tribromoacetaldehyde
- Summenformel
- C2HBr3O
- Molmasse
- 280.74
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
115-17-3- PubChem CID
- 8256
- DTXSID
DTXSID1021667- ChEMBL
CHEMBL3189061- UNII
- W2WDI7648E
- EC Number
- 204-067-9
- Nikkaji
- J2.466J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 54,3
Experimentelle und physikochemische Eigenschaften
Solubility
SOL IN WATER, ALCOHOL, ETHER
SOL IN ACETONE
Other Experimental Properties
FORMS WITH WATER BROMAL HYDRATE WHICH IS SOLID @ TEMP BELOW 50 °C
MONOCLINIC PRISMS (OBTAINED FROM WATER CRYSTALLIZING WITH 1 MOLECULE OF SOLVENT/MOLECULE COMPD)
Physikochemische Eigenschaften
- Schmelzpunkt
- -57.5 °C · -57.5 °C
- Siedepunkt
- 174 °C · 174 °C(lit.)
- Dichte
- 2.665 g/mL · 2.665 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.584(lit.)
- Flammpunkt
- 150 °F · 150 °F
- storage temp.
- Refrigerator (+4°C)
- Wasserlöslichkeit
- Soluble in water
- Merck
- 14 · 14,1383
- BRN
- 1098614 · 1098614
- Dielectric constant
- 7.6 · 7.6(21℃)
- InChI
- InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H
- InChIKey
- YTGSYRVSBPFKMQ-UHFFFAOYSA-N
- SMILES
- C(=O)C(Br)(Br)Br
- CAS Datenbank
- 115 · 115-17-3(CAS DataBase Reference)
- NIST chemische Informationen
- Acetaldehyde, tribromo-(115-17-3)
- EPA chemische Informationen
- Acetaldehyde, tribromo- (115-17-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Causes convulsions in lethal-dose feeding studies of mice and rats; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; A lachrymator; Effects in lethal-dose animal studies include convulsions; [MSDSonline]
Toxikologische Informationen
Human Toxicity Excerpts
IN PATIENTS SUFFERING FROM CHRONIC INTOXICATION, GASTRITIS IS COMMON & SKIN ERUPTIONS MAY DEVELOP. PARENCHYMATOUS RENAL INJURY MAY ALSO OCCUR. /CHLORAL HYDRATE/
IRRITANT ACTIONS OF CHLORAL HYDRATE GIVE RISE TO UNPLEASANT TASTE...NAUSEA, OCCASIONAL VOMITING, & FLATULENCE. ... UNDESIRABLE CNS EFFECTS INCL LIGHT-HEADEDNESS, MALAISE, ATAXIA, & NIGHTMARES. /CHLORAL HYDRATE/
Sicherheitsdaten
- F
- 3-8-10-19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2927 6.1/PG 1
- hs_code
- 29130000
- RTECS-Nr.
- AB3237500
- risk_code
- 25-27-34
- Toxizität
- guinea pig,LD50,skin,10uL/kg (0.01mL/kg),National Technical Information Service. Vol. OTS0555937,
- hazard_code
- T+,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-28-36/37/39-45-28A
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Giftige Stoffe Daten
- 115-17-3(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 3 OralSkin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in medicine and for organic synthesis; [HSDB]
IN MEDICINE; ORGANIC SYNTHESIS
Methods of Manufacturing
...FROM BROMAL AND WATER: LOWIG, ANN 3, 288 (1832). /HYDRATE/
FROM ETHANOL AND BROMINE, LOWIG, ANN 3, 288 (1832); FROM CHLORAL AND A BROMIDE, MULLER, US PATENT 2,053,964 (1936 TO WINTHROP CHEMICAL COMPANY); FROM PARALDEHYDE AND BROMINE, LONG, HOWARD, ORG SYN 17, 18 (1937).
...(B) BY ADDING BROMINE TO ABSOLUTE ALCOHOL, FRACTIONATING, TREATING THE FRACTION BOILING AT 165 °C WITH WATER & DISTILLING.
Anwendungen
VerwendenOrganic synthesis.
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