2-Bromopropionic acid, (S)-

HCID 642232CAS 32644-15-8

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Grundinformationen

Standard-SMILES: C[C@H](Br)C(=O)O
InChIKey: MONMFXREYOKQTI-REOHCLBHSA-N
Summenformel: C3H5BrO2
Durchschnittliche Molmasse: 152,97 g/mol
Monoisotopische Masse: 151,9472915

Namen und Bezeichner

Bevorzugter Name: 2-Bromopropionic acid, (S)-
IUPAC: (2S)-2-bromopropanoic acid
Englischer Name: (S)-(-)-2-Bromopropionic acid
Summenformel: C3H5BrO2
Molmasse: 152.97

Namen und Synonyme

(S)-(-)-2-Bromopropionic acid32644-15-8(2S)-2-bromopropanoic acid(S)-2-bromopropionic acid(S)-2-Bromopropanoic AcidL-2-Bromopropionic AcidPropanoic acid, 2-bromo-, (2S)-6TD3XQN5MG(-)-2-Bromopropanoic acid2-Bromopropionic acid, (S)-J9.154E(S)-ALPHA-BROMOPROPIONIC ACID

Weitere Namen anzeigen

(-)-Α-Bro(S)-α-BroMop(S)-(-)-2-BROMOPROPIL-α-Bromopropionic AcidL-a-Bromopropionic Acid(2S)-2-bromopropanoicaci(-)-α-Bromopropanoic Acid(S)-α-Bromopropionic Acid

(S)-.ALPHA.-BROMOPROPIONIC ACIDRefChem:467302628-991-0S-2-Bromopropionic acidMFCD00137325UNII-6TD3XQN5MG(s)-2-bromo-propionic acidL-|A-Bromopropionic Acid

Datenbank-Bezeichner

CAS: 32644-15-8
PubChem CID: 642232
DTXSID: DTXSID80348997
UNII: 6TD3XQN5MG
EC Number: 628-991-0
Nikkaji: J9.154E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 61,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 35 °C · −35 °C(lit.)
Siedepunkt: 78 °C4 · 78 °C4 mm Hg(lit.)
Dichte: 1.696 g/mL · 1.696 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.475
Flammpunkt: 215 °F · 215 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
pka: 3 · 3.00±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1720261 · 1720261
InChI: InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey: MONMFXREYOKQTI-REOHCLBHSA-N
SMILES: C(O)(=O)[C@@H](Br)C
CAS Datenbank: 32644 · 32644-15-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden(S)-2-Bromopropionic Acid is an intermediate in the synthesis of structural analogs of the antimitotic tripeptides hemiasterlins as antitumor agents.