Grundinformationen
- CAS
78-86-4- Standard-SMILES
CCC(C)Cl- InChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-N- Summenformel
- C4H9Cl
- Durchschnittliche Molmasse
- 92,57 g/mol
- Monoisotopische Masse
- 92,039278
Namen und Bezeichner
- Bevorzugter Name
- 2-Chlorobutane
- IUPAC
- 2-chlorobutane
- Lokaler Name
- 2-Chlorbutan
- Englischer Name
- 2-Chlorobutane
- Summenformel
- C4H9Cl
- Molmasse
- 92.57
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
78-86-4- PubChem CID
- 6563
- DTXSID
DTXSID9023966- ChEMBL
CHEMBL346529- ChEBI
CHEBI:166855- UNII
- AV999R2773
- EC Number
- 201-151-7
- Nikkaji
- J1.485K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 19
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
dl-Form: Liquid with a pleasant odor; [Merck Index] Clear colorless liquid; [Aldrich MSDS]
Kovats Retention Index
598.38;598.87;598;601;601;601;601;600.4
611;589;582;586;588;591;599;609;616;589
Physikochemische Eigenschaften
- Schmelzpunkt
- -140 °C · -140 °C (lit.)
- Siedepunkt
- 68 · 68-70 °C (lit.)
- Dichte
- 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
- Dampfdruck
- 160 hPa · 160 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.396(lit.)
- Flammpunkt
- 5 °F · 5 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 g/l · 1.0g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- PH
- 7 · 7 (H2O, 20℃)Aqueous solution
- Explosionsgrenze
- 2 · 2.0-8.8%(V)
- Wasserlöslichkeit
- immiscible
- Merck
- 14 · 14,1561
- BRN
- 1718770 · 1718770
- Henry's Law Constant
- 4.1 · 4.1×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 8.56 · 8.5600000000000005
- Stabilität
- Stable. Flammable - note low flash point. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
- InChIKey
- BSPCSKHALVHRSR-UHFFFAOYSA-N
- SMILES
- CCC(C)Cl
- LogP
- 2.72 at · 2.72 at 25℃
- CAS Datenbank
- 78 · 78-86-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Butane, 2-chloro-(78-86-4)
- EPA chemische Informationen
- 2 · 2-Chlorobutane (78-86-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H290 (62.6%): May be corrosive to metals [Warning Corrosive to Metals];H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (62.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P234, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Chemical: Butane, 2-chloro-
Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-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: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783
Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls
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. 2 (100%);Met. Corr. 1 (62.6%);Skin Irrit. 2 (11.8%);Eye Irrit. 2 (11.8%);STOT SE 3 (11.8%);Aquatic Chronic 3 (62.6%)
Flammable agents - 3rd degree
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
5.2 [ppm]
57 [ppm]
340 [ppm]
Toxikologische Informationen
EPA Provisional Peer-Reviewed Toxicity Values
2-Chlorobutane
PDF Document
2005
Regulatorische Informationen
Regulatory Information
Chemical: Butane, 2-chloro-
Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-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: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783
Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls
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.)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1127 3/PG 2
- hs_code
- 29031980
- RTECS-Nr.
- EJ6475000
- risk_code
- 11
- Toxizität
- LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg
- hazard_code
- F
- safety_code
- 16-29-7/9-9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
- Selbstentzündungstemperatur
- 460 °C
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing;All Other Basic Inorganic Chemical Manufacturing
Butane, 2-chloro-: ACTIVE
Anwendungen
Verwenden2-Chlorobutane is used as a solvent and intermediate in organic synthesis. Further, it is involved in the preparation of active pharmaceutical ingredients, plasticizer, rubber, resin and surfactants.
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