2-Bromo-4-methylpentanoic acid
Grundinformationen
- CAS
42990-24-9- Standard-SMILES
CC(C)CC(Br)C(=O)O- InChIKey
NNFDHJQLIFECSR-UHFFFAOYSA-N- Summenformel
- C6H11BrO2
- Durchschnittliche Molmasse
- 195,05 g/mol
- Monoisotopische Masse
- 193,99424169
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-4-methylpentanoic acid
- IUPAC
- 2-bromo-4-methylpentanoic acid
- Englischer Name
- dl-a-bromoisocaproicacid
- Summenformel
- C6H11BrO2
- Molmasse
- 195.05
Namen und Synonyme
2-bromo-4-methylpentanoic acid42990-24-9DTXSID30964308RefChem:466602DTXCID801392010836-595-649628-52-62-bromo-4-methyl-pentanoic acidMFCD00039606Pentanoic acid, 2-bromo-4-methyl-Valeric acid, 2-bromo-4-methyl-,Bromisocapronsaure
Weitere Namen anzeigen
2-bromine-4-methylpentanoic acid2-Bromo-4-methylvaleric acid (rac)(4-Bromo-3-fluoro-phenyl)-acetic acid ethyl ester
2-bromo-4-methylpentanoicacid(2S)-2-bromo-4-methyl-pentanoic acid(2R)-2-Bromo-4-methylpentanoic acid; (R)-2-Bromo-4-methylpentanoic acid; D-alpha-Bromo-gamma-methylvaleric acid; D-alpha-Bromoisocaproic acid2-bromoisocaproic acidalpha-bromoisocaproic acid(R)-2-Bromo-4-methylpSCHEMBL4898042-bromo-4-methyl-valeric acid
Datenbank-Bezeichner
- CAS
42990-24-9、49628-52-6- PubChem CID
- 142681
- DTXSID
DTXSID30964308- EC Number
- 836-595-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 101
Physikochemische Eigenschaften
- Siedepunkt
- 241 ℃ · 241℃
- Dichte
- 1.432 · 1.432
- Flammpunkt
- 99 ℃ · 99℃
- storage temp.
- 2 · 2-8°C
- pka
- 2.98 · 2.98±0.21(Predicted)
- InChI
- InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
- InChIKey
- NNFDHJQLIFECSR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(Br)CC(C)C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2915907098
Chemie und Industrie
Anbieter6 Anbieter
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