Grundinformationen
- Standard-SMILES
ClCCCCBr- InChIKey
NIDSRGCVYOEDFW-UHFFFAOYSA-N- Summenformel
- C4H8BrCl
- Durchschnittliche Molmasse
- 171,46 g/mol
- Monoisotopische Masse
- 169,94979
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-4-chlorobutane
- IUPAC
- 1-bromo-4-chlorobutane
- Lokaler Name
- 1-Brom-4-chlorbutan
- Englischer Name
- 1-Bromo-4-chlorobutane
- Summenformel
- C4H8BrCl
- Molmasse
- 171.46
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6940-78-9- PubChem CID
- 81364
- DTXSID
DTXSID1049350- ChEMBL
CHEMBL350215- UNII
- 3WY7Z6MQN8
- EC Number
- 230-089-3
- Nikkaji
- J29.159E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 23
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 · 96-97 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- Siedepunkt
- 80 · 80-82 °C/30 mmHg (lit.)
- Dichte
- 1.488 g/mL · 1.488 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4875(lit.)
- Flammpunkt
- 140 °F · 140 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- soluble in Chloroform
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Wasserlöslichkeit
- SLIGHTLY SOLUBLE
- BRN
- 1098275 · 1098275
- InChI
- 1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
- InChIKey
- NIDSRGCVYOEDFW-UHFFFAOYSA-N
- SMILES
- ClCCCCBr
- CAS Datenbank
- 6940 · 6940-78-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Butane, 1-bromo-4-chloro-(6940-78-9)
- EPA chemische Informationen
- 1 · Butane, 1-bromo-4-chloro- (6940-78-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.
Warning
H226 (88.3%): Flammable liquid and vapor [Warning Flammable liquids];H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (21.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (21.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 60 reports by companies.;There are 11 notifications provided by 59 of 60 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: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22305
1-Bromo-4-chlorobutane: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22305
1-Bromo-4-chlorobutane: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29034980
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
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