Grundinformationen
- Standard-SMILES
Fc1cccc(Br)c1- InChIKey
QDFKKJYEIFBEFC-UHFFFAOYSA-N- Summenformel
- C6H4BrF
- Durchschnittliche Molmasse
- 175 g/mol
- Monoisotopische Masse
- 173,94804
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-3-fluorobenzene
- IUPAC
- 1-bromo-3-fluorobenzene
- Lokaler Name
- 1-Brom-3-fluorbenzol
- Englischer Name
- 3-Bromofluorobenzene
- Summenformel
- C6H4BrF
- Molmasse
- 175
Namen und Synonyme
1-BROMO-3-FLUOROBENZENE3-Bromofluorobenzene1073-06-9m-BromofluorobenzeneBenzene, 1-bromo-3-fluoro-m-Fluorobromobenzene1-Fluoro-3-bromobenzenem-Fluorophenyl bromideBenzene, 1-fluoro-3-bromo-NSC-10267FP4T6BX2WDDTXSID9061461
Weitere Namen anzeigen
3-BromofL3-bromfluorbenzene3-bromofluorobenzne
RefChem:75109DTXCID3033066214-023-03-Bromfluorbenzen3-fluorobromobenzene3-fluoro-1-bromobenzene1-bromo-3-fluoro-BenzeneNSC 10267
Datenbank-Bezeichner
- CAS
1073-06-9- PubChem CID
- 14082
- DTXSID
DTXSID9061461- UNII
- FP4T6BX2WD
- EC Number
- 214-023-0
- Nikkaji
- J54.890A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 74
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index932.8
Physikochemische Eigenschaften
- Schmelzpunkt
- -8 °C · -8°C
- Siedepunkt
- 149 · 149-151 °C(lit.)
- Dichte
- 1.567 g/mL · 1.567 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.526(lit.)
- Flammpunkt
- 102 °F · 102 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 0.4 g/l · 0.4g/l
- Aggregatzustand
- Liquid
- Wichte
- 1.567 · 1.567
- Farbe
- Clear colorless to light yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 1853969 · 1853969
- Henry's Law Constant
- 2.9 · 2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
- InChIKey
- QDFKKJYEIFBEFC-UHFFFAOYSA-N
- SMILES
- Fc1cccc(Br)c1
- CAS Datenbank
- 1073 · 1073-06-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-bromo-3-fluoro-(1073-06-9)
- EPA chemische Informationen
- 1 · Benzene, 1-bromo-3-fluoro- (1073-06-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.
Warning
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 79 reports by companies.；There are 9 notifications provided by 77 of 79 reports by companies with hazard statement code(s).；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
Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30641
1-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)；Acute Tox. 4 (94.9%)；Skin Irrit. 2 (96.2%)；Eye Irrit. 2A (94.9%)
Toxikologische Informationen
RAIS Toxicity Values
0.03
SCREEN Current
0.0003
SCREEN Current
0.003
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
1-Bromo-3-fluorobenzene
PDF Document
Inadequate information to assess carcinogenic potential
2017
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
2.30e+01
3.50e+02
4.90e+00
1.00e+01
4.70e-03
3.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
7.00e+01
1.10e+03
1.50e+01
1.00e+01
3.00e-04
Volatile
Regulatorische Informationen
Regulatory Information
Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30641
1-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29036990
- RTECS-Nr.
- DA1225000
- risk_code
- 10-22-36/38-36/37/38-20/21/22
- hazard_code
- Xn,F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzene, 1-bromo-3-fluoro-: ACTIVE
Anwendungen
VerwendenIntermediates of Liquid Crystals
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