1-Chloroheptane (HCID 12371)

Überblick

1-chloroheptane is a colorless liquid. Insoluble in water.

Namen und Bezeichner

Bevorzugter Name: 1-Chloroheptane
IUPAC: 1-chloroheptane
Lokaler Name: 1-Chlorheptan
Englischer Name: 1-Chloroheptane
Summenformel: C7H15Cl
Molmasse: 134.65

Namen und Synonyme

1-CHLOROHEPTANE629-06-1Heptyl chlorideHeptane, 1-chloro-n-Heptyl chloride1-chloro-heptaneMFCD00001021chloroheptane2F3Z1E37X5UNII-2F3Z1E37X5EINECS 211-070-9normal-Heptyl chloride

Weitere Namen anzeigen

1-Chloroheptane >1-Chloroheptane,97%Chlorinated n-heptane1-Chloroheptane, 97% 25MLPaliperidone Impurity 19-d41-CHLOROHEPTANE FOR SYNTHESIS

1-Chloroheptane, 99%SCHEMBL44335SCHEMBL44534SCHEMBL613389orb3023458SCHEMBL5424360SCHEMBL6841419SCHEMBL8922111

Datenbank-Bezeichner

CAS: 629-06-1
PubChem CID: 12371
DTXSID: DTXSID4060864
ChEMBL: CHEMBL1797136
UNII: 2F3Z1E37X5
EC Number: 211-070-9
Nikkaji: J1.700K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 35,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

LogP4.15

Physical Description · 2 Einträge

1-chloroheptane is a colorless liquid. Insoluble in water.

Colorless liquid; [CAMEO]

Physikochemische Eigenschaften

Schmelzpunkt: -69 °C · -69 °C (lit.)
Siedepunkt: 159 · 159-161 °C (lit.)
Dichte: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.425(lit.)
Flammpunkt: 107 °F · 107 °F
storage temp.: Flammables area
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Insoluble
BRN: 1697159 · 1697159
Henry's Law Constant: 2.5 · 2.5×10-4 mol/(m3Pa) at 25℃, Abraham (1984)
Dielectric constant: 5.48 · 5.4800000000000004
InChI: 1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey: DZMDPHNGKBEVRE-UHFFFAOYSA-N
SMILES: CCCCCCCCl
CAS Datenbank: 629 · 629-06-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · Heptane, 1-chloro-(629-06-1)
EPA chemische Informationen: 1 · Heptane, 1-chloro- (629-06-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 71 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1-Chloroheptane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCombustible Liquid

Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride. See 1-Chlorohexane.

Reactive GroupHalogenated Organic Compounds

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: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29031990
risk_code: 10-36/37/38-52/53
hazard_code: Xi,N
safety_code: 26-36-61
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHeptane, 1-chloro-: ACTIVE

Anwendungen

Verwenden1-Chloroheptane was used in the coupling of a GC to the ICP-MHMS-FPC for the determination of halogenated hydrocarbons and organometallic species.