Propanoic acid, 2-bromo-2-methyl-, ethyl ester (HCID 11745)

Namen und Bezeichner

Bevorzugter Name: Propanoic acid, 2-bromo-2-methyl-, ethyl ester
IUPAC: ethyl 2-bromo-2-methylpropanoate
Lokaler Name: Ethyl-2-brom-2-methylpropionat
Englischer Name: Ethyl 2-bromoisobutyrate
Summenformel: C6H11BrO2
Molmasse: 195.05

Namen und Synonyme

Ethyl 2-bromoisobutyrate600-00-0Ethyl 2-bromo-2-methylpropionatePropanoic acid, 2-bromo-2-methyl-, ethyl esterNSC 94652-Bromo-2-methylpropanoic acid, ethyl esterNSC 402034alpha-Bromoisobutyric acid, ethyl esterEthyl alpha-bromo-alpha-methylpropionateCCRIS 6546EINECS 209-980-6Propionic acid, 2-bromo-2-methyl-, ethyl ester

Weitere Namen anzeigen

Ethyl 2-bromo-2-methylpropanoateEthyl α-bromoisobutyrate2-BROMO-2-METHYLPROPIONIC ACID ETHYL ESTERα-bromoisobutyrateETHYL A-BROMOISOBUTYRATEEthyl α-broMo-Ethyl-2-bromo-2-weather sensors sixEthyl dimethylacetate

DTXSID4060523EC 209-980-6RefChem:869188Ethyl alphabromoisobutyrateEthyl 2bromo2methylpropanoateEthyl 2bromo2methylpropionateDTXCID60427392Bromoisobutyric acid ethyl ester

Datenbank-Bezeichner

CAS: 600-00-0
PubChem CID: 11745
DTXSID: DTXSID4060523
UNII: 5H4TN4F3C4
EC Number: 209-980-6
Nikkaji: J96.543J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesBoiling point

Vapor Pressure2.61 [mmHg]

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt: 65 · 65-67 °C11 mm Hg(lit.)
Dichte: 1.329 g/mL · 1.329 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 140 °F · 140 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Soluble in alcohol, ether. Insoluble in water.
BRN: 1098947 · 1098947
Dielectric constant: 7.9 · 7.9(20℃)
Stabilität: Stable. Incompatible with acids, bases, reducing agents, oxidizing agents.
InChI: InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
InChIKey: IOLQWGVDEFWYNP-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)(C)C
CAS Datenbank: 600 · 600-00-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · Propanoic acid, 2-bromo-2-methyl-, ethyl ester(600-00-0)
EPA chemische Informationen: 2 · Ethyl 2-bromoisobutyrate (600-00-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 04-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13603

Ethyl 2-bromo-2-methylpropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

A mild skin and severe eye irritant (may cause eye injury); May cause skin sensitization; Possible mutagen by oral exposure; [ECHA REACH Registrations] An irritant that may cause serious eye injury; A lachrymator; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethyl 2-bromopropionate.

Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)

Toxikologische Informationen

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Sicherheitsdaten

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 1992 3/PG 3
hs_code: 29159080
risk_code: 22-41-36/37/38
hazard_code: Xn
safety_code: 26-39-37/39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make fine and large scale chemicals and pharmaceuticals; [ECHA REACH Registrations]

General Manufacturing InformationPropanoic acid, 2-bromo-2-methyl-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl 2-bromoisobutyrate is used as an Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with an ethyl end group.