2-Brom-3-methylbuttersure

2-Bromoisovaleric acid

HCID 11268CAS 565-74-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(C)C(Br)C(=O)O
InChIKey
UEBARDWJXBGYEJ-UHFFFAOYSA-N
Summenformel
C5H9BrO2
Durchschnittliche Molmasse
181,03 g/mol
Monoisotopische Masse
179,97859

Namen und Bezeichner

Bevorzugter Name
2-Bromoisovaleric acid
IUPAC
2-bromo-3-methylbutanoic acid
Lokaler Name
2-Brom-3-methylbuttersure
Englischer Name
2-Bromo-3-methylbutyric acid
Summenformel
C5H9BrO2
Molmasse
181.03

Namen und Synonyme

2-Bromoisovaleric acidRefChem:555416565-74-22-Bromo-3-methylbutyric acid2-Bromo-3-methylbutanoic acidButanoic acid, 2-bromo-3-methyl-alpha-Bromoisovaleric acid2-Bromo-3-methylbutyricacidButyric acid, 2-bromo-3-methyl-NSC 167EINECS 209-291-0UNII-M69LGV465C
Weitere Namen anzeigen
2-broMo acid2-BromoisovaLUNII:M69LGV465C2-Bromo-iso-acid-Bromo-iso-valericacidA-BROMOISOVALERIC ACIDα-bromo isovaleric acid2-BROMOISOPENTANOIC ACID
.alpha.-Bromoisovaleric acidMFCD00004210BRN 1721146M69LGV465CAI3-21065169320-29-0NSC-167NSC-6967

Datenbank-Bezeichner

CAS
565-74-2
PubChem CID
11268
DTXSID
DTXSID30870617
UNII
M69LGV465C
EC Number
209-291-0
Nikkaji
J6.513G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
8

Physikochemische Eigenschaften

Schmelzpunkt
39 · 39-42 °C(lit.)
Siedepunkt
124 · 124-126 °C20 mm Hg(lit.)
Dichte
1.421 · 1.4210 (rough estimate)
Brechungsindex
1.479 · 1.4790 (estimate)
Flammpunkt
107 °C · 107°C
storage temp.
2 · Storage temp. 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (93.8%)；Skin Corr. 1B (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29159080
RTECS-Nr.
ES8055000
risk_code
21/22-34

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoic acid, 2-bromo-3-methyl-: ACTIVE

Anwendungen

Verwenden2-Bromo-3-methylbutyric acid was used to study the conjugation of glutathione (GSH) with (R)-and (S)-α-bromoisovaleric acid (BI) in the rat 1 .

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Zugehörige Reaktionen

80
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…