Grundinformationen
- Standard-SMILES
OCCCBr- InChIKey
RQFUZUMFPRMVDX-UHFFFAOYSA-N- Summenformel
- C3H7BrO
- Durchschnittliche Molmasse
- 138,99 g/mol
- Monoisotopische Masse
- 137,96802694
Überblick
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromo-1-propanol
- IUPAC
- 3-bromopropan-1-ol
- Lokaler Name
- 3-Brompropan-1-ol
- Englischer Name
- 3-Bromo-1-propanol
- Summenformel
- C3H7BrO
- Molmasse
- 138.99
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
627-18-9- PubChem CID
- 12308
- DTXSID
DTXSID3024657- ChEMBL
CHEMBL466545- ChEBI
CHEBI:144333- UNII
- 3T4AXH68FH
- EC Number
- 210-986-6
- Nikkaji
- J3.012K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 16,4
Experimentelle und physikochemische Eigenschaften
Flash Point
201 °F (NTP, 1992)
201 °F
Physical Description
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
Physikochemische Eigenschaften
- Siedepunkt
- 62 °C/5 · 62 °C/5 mmHg (lit.)
- Dichte
- 1.537 g/mL · 1.537 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.13 hPa · 0.13 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.488(lit.)
- Flammpunkt
- 215 °F · 215 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 167 g/l · 167g/l
- Aggregatzustand
- Liquid
- pka
- 14.65 · 14.65±0.10(Predicted)
- Wichte
- 1.6 · 1.60
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- 167 g/L · 167 g/L (20 ºC)
- BRN
- 969160 · 969160
- Henry's Law Constant
- 8.2 · 8.2×100 mol/(m3Pa) at 25℃, Modarresi et al. (2007)
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
- InChIKey
- RQFUZUMFPRMVDX-UHFFFAOYSA-N
- SMILES
- OCCCBr
- CAS Datenbank
- 627 · 627-18-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Propanol, 3-bromo-(627-18-9)
- EPA chemische Informationen
- 3 · 3-Bromo-1-propanol (627-18-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (78.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanol, 3-bromo-
3-Bromo-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29055910
- RTECS-Nr.
- UA7385000
- risk_code
- 22-41-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.
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