Grundinformationen
- Standard-SMILES
CCCCCCCl- InChIKey
MLRVZFYXUZQSRU-UHFFFAOYSA-N- Summenformel
- C6H13Cl
- Durchschnittliche Molmasse
- 120,62 g/mol
- Monoisotopische Masse
- 120,0705781
Überblick
Mobil, clear liquid.
Namen und Bezeichner
- Bevorzugter Name
- 1-Chlorohexane
- IUPAC
- 1-chlorohexane
- Lokaler Name
- 1-Chlorhexan
- Englischer Name
- 1-Chlorohexane
- Summenformel
- C6H13Cl
- Molmasse
- 120.62
Namen und Synonyme
1-CHLOROHEXANE544-10-5Hexyl chloriden-Hexyl chlorideHexane, 1-chloro-R5L7I6O9NWDTXSID1060265RefChem:907550DTXCID7041704208-859-5Chlorohexane1-Chloro-hexane
Weitere Namen anzeigen
1-ChlorhexanorohexaneHexylchloridn-HexylchloridN-Chlorohexane1-chloro-hexanChlorine hexane
MFCD00001018Hexane, chloro-UNII-R5L7I6O9NWhexylchloridehexylchoride1-Hexyl chlorideEINECS 208-859-5normal-Hexyl chloride
Datenbank-Bezeichner
- CAS
25495-90-3、544-10-5、70776-07-7- PubChem CID
- 10992
- DTXSID
DTXSID1060265- ChEMBL
CHEMBL156095- UNII
- R5L7I6O9NW
- EC Number
- 208-859-5
- Nikkaji
- J2.647F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 27,4
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Flash Point95 °F (NFPA, 2010)
Vapor Pressure9.37 [mmHg]
Physical Description
Mobil, clear liquid.
Mobile liquid; [Merck Index]
Physikochemische Eigenschaften
- Schmelzpunkt
- -94 °C · -94 °C (lit.)
- Siedepunkt
- 133 · 133-134 °C (lit.)
- Dichte
- 0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
- Dampfdruck
- 53 hPa · 53 hPa (55 °C)
- Brechungsindex
- 20 · n20/D 1.419(lit.)
- Flammpunkt
- 80 °F · 80 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- water: insoluble(lit.)
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow
- Explosionsgrenze
- 1 · 1.0-9.6%(V)
- Wasserlöslichkeit
- water: insoluble(lit.)
- Merck
- 14 · 14,2144
- BRN
- 1731289 · 1731289
- Henry's Law Constant
- 3.1 · 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993)
- Dielectric constant
- 5.82 · 5.8200000000000003
- Stabilität
- Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChIKey
- MLRVZFYXUZQSRU-UHFFFAOYSA-N
- SMILES
- CCCCCCCl
- LogP
- 3.54 at · 3.54 at 25℃
- CAS Datenbank
- 544 · 544-10-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Hexane, 1-chloro-(544-10-5)
- EPA chemische Informationen
- 1 · 1-Chlorohexane (544-10-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Hexane, 1-chloro-
Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11661
1-Chlorohexane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 1,6-Dichlorohexane and n-Butyl chloride.
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Halogenated aliphatic compounds, such as 1-CHLOROHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
1-Chlorohexane
Marine pollutant
normal-Hexyl chloride
Marine pollutant
Air and Water ReactionsHighly flammable. Vapors may form explosive mixtures with air.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29031980
- risk_code
- 10-37-20/21-50/53
- Toxizität
- LD50 orally in Rabbit: 7000 mg/kg
- hazard_code
- Xi,N
- safety_code
- 23-24/25-16-61-60
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
- Selbstentzündungstemperatur
- 225 °C
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate; [ExPub: EPA - TSCATS] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationHexane, 1-chloro-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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