Grundinformationen
- Standard-SMILES
ClC1CCCCC1- InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N- Summenformel
- C6H11Cl
- Durchschnittliche Molmasse
- 118,6 g/mol
- Monoisotopische Masse
- 118,05492803
Überblick
Monochlorocyclohexane is a chlorocyclohexane carrying a single chloro group.
Namen und Bezeichner
- Bevorzugter Name
- Chlorocyclohexane
- IUPAC
- chlorocyclohexane
- Lokaler Name
- Chlorcyclohexan
- Englischer Name
- Chlorocyclohexane
- Summenformel
- C6H11Cl
- Molmasse
- 118.6
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
542-18-7- PubChem CID
- 10952
- DTXSID
DTXSID3052193- ChEBI
CHEBI:39156- UNII
- PNV8C821FH
- EC Number
- 208-806-6
- Nikkaji
- J1.598I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 46,1
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Cyclic Hydrocarbons
Flammable agents - 3rd degree
Physikochemische Eigenschaften
- Schmelzpunkt
- -44 °C · -44 °C (lit.)
- Siedepunkt
- 142 °C · 142 °C (lit.)
- Dichte
- 1 g/mL · 1 g/mL at 25 °C (lit.)
- Dampfdruck
- 7 hPa · 7 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.462(lit.)
- Flammpunkt
- 84 °F · 84 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.4 g/l · 0.40g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Explosionsgrenze
- 1.1 · 1.1-7.5%(V)
- Wasserlöslichkeit
- 0.02 g/L · 0.02 g/L (20 ºC)
- Merck
- 14 · 14,2732
- BRN
- 1900796 · 1900796
- Henry's Law Constant
- 2.8 · 2.8×10-3 mol/(m3Pa) at 25℃, Bakierowska and Trzeszczy\'nski (2003)
- Dielectric constant
- 7.6 · 7.6(24℃)
- InChI
- 1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- UNFUYWDGSFDHCW-UHFFFAOYSA-N
- SMILES
- ClC1CCCCC1
- CAS Datenbank
- 542 · 542-18-7(CAS DataBase Reference)
- NIST chemische Informationen
- Cyclohexane, chloro-(542-18-7)
- EPA chemische Informationen
- Cyclohexane, chloro- (542-18-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexane, chloro-
Cyclohexane, chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 07-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11240
Chlorocyclohexane: 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.)
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
Sicherheit und Schutzausrüstung
Storage Conditions
...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS DUE TO CONTACT WITH HEAT, MOISTURE, ACID, OR ACID FUMES, SHOULD BE STORED IN COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD & SHOULD BE PERIODICALLY INSPECTED & MONITORED.
Toxikologische Informationen
Human Toxicity Excerpts
MILDLY IRRITATING TO HUMAN SKIN. NO SYSTEMIC POISONINGS HAVE BEEN REPORTED... /CYCLOHEXANE/
LIQUID ALICYCLIC HYDROCARBONS WILL DEHYDRATE & DELIPIDIZE SKIN ON REPEATED OR PROLONGED CONTACT & CAUSE DERMATITIS. DIRECT CONTACT...WITH LUNG TISSUE (ASPIRATION) WILL CAUSE PULMONARY EDEMA, PNEUMONITIS & HEMORRHAGE. VAPORS IN SUFFICIENT CONCN WILL CAUSE IRRITATION OF MUCOUS MEMBRANES. /LIQUID ALICYCLIC HYDROCARBONS/
...ALICYCLIC HYDROCARBONS RESEMBLE...ALIPHATIC HYDROCARBONS...THEY ARE ANESTHETICS & CNS DEPRESSANTS WITH RELATIVELY LOW ORDER OF ACUTE TOXICITY... CUMULATIVE TOXICITY FROM REPEATED EXPOSURE TO LOW ATMOSPHERIC CONCN IS IMPROBABLE...NO EVIDENCE.../THEY/ ARE SPECIFIC BLOOD-FORMING TISSUE TOXICANTS. /ALICYCLIC HYDROCARBONS/
Non-Human Toxicity Excerpts
HIGH VAPOR CONCN HAVE PRODUCED CONVULSIONS IN RABBITS. TOXIC ORAL DOSES IN RABBITS LED TO SEVERE DIARRHEA, CIRCULATORY COLLAPSE, & DEATH, WITHOUT PROMINENT CENTRAL NERVOUS DEPRESSION OR ANESTHESIA. AUTOPSY REVEALED GENERALIZED VASCULAR DAMAGE WITH DEGENERATIVE LESIONS IN BRAIN & VISCERA. /CYCLOHEXANE/
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29035990
- RTECS-Nr.
- GU8685000
- risk_code
- 10-36/37/38-20
- Toxizität
- LD50 orally in Rabbit: 3000 mg/kg
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 542-18-7(Hazardous Substances Data)
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 3
- Selbstentzündungstemperatur
- 290 °C
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
General Manufacturing Information
Fabricated Metal Product Manufacturing
Cyclohexane, chloro-: ACTIVE
Anwendungen
VerwendenChlorocyclohexane is used as the raw material in synthesis agrochemical and medicine chemical engineering products.
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Ergänzende Hinweise
DefinitionChEBI: A chlorocyclohexane carrying a single chloro group.
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