1-Chloro-2-phenylethane

HCID 231496CAS 1331-31-3

Grundinformationen

Standard-SMILES
ClCCc1ccccc1
InChIKey
MNNZINNZIQVULG-UHFFFAOYSA-N
Summenformel
C8H9Cl
Durchschnittliche Molmasse
140,61 g/mol
Monoisotopische Masse
140,03927797

Namen und Bezeichner

Bevorzugter Name
1-Chloro-2-phenylethane
IUPAC
2-chloroethylbenzene
Englischer Name
2-CHLOROETHYLBENZENE
Summenformel
C8H9Cl
Molmasse
140.61

Namen und Synonyme

(2-Chloroethyl)benzene622-24-2Phenethyl chloride2-Phenylethyl chloride1-Chloro-2-phenylethaneBenzene, (2-chloroethyl)-2-Phenyl-1-chloroethaneEthylchlorobenzenebeta-Phenylethyl chloride.beta.-Phenethyl chloridebeta-Phenethyl chloridealpha-Chloroethylbenzene
Weitere Namen anzeigen
.beta.-Phenylethyl chloride(.beta.-Chloroethyl)benzeneBENZENE, CHLOROETHYL-(beta-Chloroethyl)benzenephenylethyl chlorideEINECS 210-725-6NSC-27886DTXSID3060748

Datenbank-Bezeichner

CAS
1331-31-3、622-24-2
PubChem CID
231496
DTXSID
DTXSID3060748
UNII
C7T86VN1QZ
EC Number
210-725-6
Nikkaji
J91.303K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point
LogP · 2 Einträge

log Kow = 2.95

2.95

Density1.069 g/cu cm at 25 °C
Color/FormLight red, clear liquid
Solubility · 2 Einträge

Insoluble in water

Soluble in acetone, benzene, caron tetrachloride, chloroform

Boiling Point198 °C

Physikochemische Eigenschaften

Schmelzpunkt
-62.6 °C · -62.6°C
Siedepunkt
188.79 °C · 188.79°C (estimate)
Dichte
1.0536 · 1.0536 (estimate)
Brechungsindex
1.5275 · 1.5275 (estimate)
EPA chemische Informationen
Benzene, chloroethyl- (1331-31-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzene, (2-chloroethyl)-

Chemical: Benzene, chloroethyl-

Status: Active Update: 08-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18005

Benzene, (2-chloroethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Other Hazardous ReactionsConditions to avoid: Heat, flames and sparks.
Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (33.3%)

Flammable liquids - Category 4

Hazardous Reactivities and IncompatibilitiesIncompatible materials: Strong oxidizing agents, Strong bases

Sicherheit und Schutzausrüstung

Firefighting HazardsCarbon oxides, Hydrogen chloride gas
Fire Fighting Procedures · 2 Einträge

For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.

Wear self contained breathing apparatus for fire fighting if necessary. Use water spray to cool unopened containers.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Cleanup Methods · 3 Einträge

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. Keep in suitable, closed containers for disposal.

Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. Keep in suitable, closed containers for disposal.

Disposal Methods · 2 Einträge

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.

Preventive Measures · 4 Einträge

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 810(SRC), determined from a structure estimation method(2), indicates that 2-phenyl-1-chloroethane is expected to have low mobility in soil(SRC). Volatilization of 2-phenyl-1-chloroethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.8X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 2-Phenyl-1-chloroethane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.69 mm Hg at 25 °C(4). Utilizing the Japanese MITI test, 0% of the Theoretical BOD was reached in 4 weeks(5) indicating that biodegradation is not an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 810(SRC), determined from a structure estimation method(2), indicates that 2-phenyl-1-chloroethane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a an estimated Henry's Law constant of 2.8X10-3 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 9 hrs and 6 days, respectively(SRC). According to a classification scheme(5), a BCF range of 50-72(6) suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Utilizing the Japanese MITI test, 0% of the Theoretical BOD was reached in 4 weeks(6) indicating that biodegradation is not an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-phenyl-1-chloroethane, which has a vapor pressure of 1.69 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-phenyl-1-chloroethane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 3 days(SRC), calculated from its rate constant of 5.6X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2-Phenyl-1-chloroethane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity SummaryIDENTIFICATION AND USE: 2-Phenyl-1-chloroethane is used as a chemical intermediate. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: There are no data available.
Effluent Concentrations2-Phenyl-1-chloroethane was tentativley identified in leachate from a simulatation of a landfill lysimeter used to study the codisposal of metal plating sludge with municipal solid wastes(1).
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-phenyl-1-chloroethane can be estimated to be 810(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-phenyl-1-chloroethane is expected to have low mobility in soil(SRC).

Artificial Pollution Sources2-Phenyl-1-chloroethane's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: 2-Phenyl-1-chloroethane, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1).

Chemie und Industrie

Verwendung und Herstellung

Uses/Chemical/ Intermediate
General Manufacturing InformationBenzene, (2-chloroethyl)-: ACTIVE

Anbieter50 Anbieter

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