2-클로로에틸렌

1-Chloro-2-phenylethane

HCID 231496CAS 1331-31-3

기본 정보

표준 SMILES
ClCCc1ccccc1
InChIKey
MNNZINNZIQVULG-UHFFFAOYSA-N
분자식
C8H9Cl
평균 분자량
140.61 g/mol
단동위원소 질량
140.03927797

이름 및 식별자

우선 이름
1-Chloro-2-phenylethane
IUPAC
2-chloroethylbenzene
현지명
2-클로로에틸렌
영어명
2-CHLOROETHYLBENZENE
분자식
C8H9Cl
분자량
140.61

이름 및 동의어

(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
이름 더 보기
2-클로로에틸렌
.beta.-Phenylethyl chloride(.beta.-Chloroethyl)benzeneBENZENE, CHLOROETHYL-(beta-Chloroethyl)benzenephenylethyl chlorideEINECS 210-725-6NSC-27886DTXSID3060748

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP · 2건

log Kow = 2.95

2.95

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

Insoluble in water

Soluble in acetone, benzene, caron tetrachloride, chloroform

Boiling Point198 °C

물리화학적 성질

녹는점
-62.6 °C · -62.6°C
끓는 점
188.79 °C · 188.79°C (estimate)
밀도
1.0536 · 1.0536 (estimate)
굴절률
1.5275 · 1.5275 (estimate)
EPA
Benzene, chloroethyl- (1331-31-3)

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 4건

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 · 2건

Skin Irrit. 2 (33.3%)

Flammable liquids - Category 4

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

안전 및 보호

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

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 · 3건

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 · 2건

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 · 4건

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.

독성 정보

Environmental Fate · 3건

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 · 1건

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).

화학 및 산업

용도 및 제조

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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