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2-Chloro-1-propene

HCID 11203
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
557-98-2
표준 SMILES
C=C(C)Cl
InChIKey
PNLQPWWBHXMFCA-UHFFFAOYSA-N
분자식
C3H5Cl
평균 분자량
76.52 g/mol
단동위원소 질량
76.00797784

개요

2-chloropropene appears as a clear colorless volatile liquid. Less dense than water and insoluble in water. Vapors heavier than air.

이름 및 식별자

우선 이름
2-Chloro-1-propene
IUPAC
2-chloroprop-1-ene
영어명
2-Chloropropene
분자식
C3H5Cl
분자량
0

이름 및 동의어

2-Chloropropene557-98-22-chloroprop-1-ene2-CHLORO-1-PROPENEIsopropenyl chloride2-Chloropropylene1-Propene, 2-chloro-Propene, 2-chloro-beta-Chloropropenebeta-Chloropropylene.beta.-Chloropropene.beta.-Chloropropylene
이름 더 보기
1-Methylvinyl chlorideHSDB 5694EINECS 209-187-5UN2456BRN 136137650TXN55E4ADTXSID40402622-CHLORO-1-PROPENE [HSDB]

데이터베이스 식별자

CAS
557-98-2
PubChem CID
11203
DTXSID
DTXSID4040262
UNII
50TXN55E4A
EC Number
209-187-5
Nikkaji
J2.665D

물성

구조 계산 물성

XLogP
1.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
4
형식 전하
0
복잡도
30.3

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling
LogP · 2건

Log P = 2.00

2.0

Density · 2건

0.9017 @ 20 °C/4 °C

0.9017 @ 20°C

Color/FormCOLORLESS GAS OR LIQUID
SolubilityINSOL IN WATER; SOL IN ETHER, ACETONE, BENZENE, CHLOROFORM
Flash Point · 3건

less than 4 °F (NFPA, 2010)

Flash point < 21 °C

LESS THAN -6 °F (LESS THAN -21 °C) (CLOSED CUP)

Boiling Point · 2건

22.6 °C @ 760 MM HG

22.65 °C @760 [mm Hg]

Melting Point · 2건

-137.4 °C

-138.6 °C

Vapor Density2.63 (AIR= 1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Propene, 2-chloro-

1-Propene, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 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)

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.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire PotentialFLAMMABLE, DANGEROUS FIRE RISK
Health Hazards · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1건

화학 및 산업

용도 및 제조

Uses · 2건

Used as an intermediate in organic synthesis and in the formulation of copolymers; [Hawley]

CHEM INT IN ORGANIC SYNTHESIS; FORMULATION OF COMONOMERS

U.S. Production · 2건

2023: 10,000,000 - <50,000,000 lb

(1977) 4.5X10+8 G MIN-PROBABLY AS A BYPRODUCT

Industry UsesIntermediate
Methods of ManufacturingBy treating propylene dichloride with alcoholic potassium hydroxide and fractionating from the simultaneously formed 1-chloropropene.
Formulations/PreparationsGRADE: 95% PURITY.
General Manufacturing Information · 4건

All Other Basic Organic Chemical Manufacturing

1-Propene, 2-chloro-: ACTIVE

2-Chloro-1-propene is produced in small amounts during the production of allyl chloride from propylene.

2-Chloro-1-propene is formed during the cracking of 1,2-dichloropropane during allyl chloride production.

공급사51 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

관련 반응

2건
반응 기록 만들기
HRID 33207 반응식
HRID 33207반응물로uspto-grants-2008_09
HRID 1741071 반응식
HRID 1741071반응물로uspto-grants-1999_10

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Vapor Pressure · 3건

819.0 [mmHg]

819 mm Hg at 25 °C /from experimentally-derived coefficients/

819 [mm Hg] @25 °C

Refractive IndexINDEX OF REFRACTION: 1.3973 @ 20 °C/D

물리화학적 성질

녹는점
-137.4 °C · -137.4 °C
끓는 점
22.6 °C · 22.6 °C
밀도
0.9017 g/cm3 · 0.9017 g/cm3

Flammable substance; [Hawley] No mutagenic activity observed on Salmonella typhimurium (TA 100); [HSDB] May cause irritation or burns to skin and eyes; [CAMEO] Inhalation in high-dose animal studies causes general anesthesia; [RTECS] Extremely flammable; Irritating to eyes and respiratory tract; [MSDSonline] 2-Chloropropene (UN2456) has warning of explosive polymerization; [ERG 2016]

DOT ID and Guide2456 130P
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

Halogenated aliphatic compounds, such as 2-CHLOROPROPENE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Low molecular weight haloalkenes are highly flammable, peroxidizable and may polymerize violently. They may react violently with aluminum. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Flammable LimitsLOWER 4.5% BY VOL; UPPER 16% BY VOL
DOT Emergency Guidelines · 5건

/GUIDE 130P: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

/GUIDE 130P: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

/GUIDE 130P: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.

/GUIDE 130P: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.

For more DOT Emergency Guidelines (Complete) data for 2-CHLORO-1-PROPENE (8 total), please visit the HSDB record page.

안전 및 보호

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 1건

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:
Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 2건

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.

Isolation and Evacuation · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3건

140 [mg/m3]

1600 [mg/m3]

9300 [mg/m3]

Personal Protective Equipment (PPE) · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious); polymerization hazard]:

Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles. ... Wear positive pressure self-contained breathing apparatus when fighting fires involving this material.

Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 35(SRC), determined from a structure estimation method(2), indicates that 2-chloro-1-propene will have very high mobility in soil(SRC). Volatilization of 2-chloro-1-propene should be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 7.0X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Volatilization from dry soil surfaces(SRC) is expected based on a vapor pressure of 819 mm Hg(SRC), determined from experimentally-derived coefficients(4). Based on limited data, this compound is expected to be resistant to both anaerobic and aerobic biodegradation(SRC). In anaerobic and aerobic closed bottle tests, using a mixture of 12 chlorinated aliphatic compounds and a methanotroph-conditioned culture inoculum, 10% and 20% removal of 2-chloro-1-propene (initially present at 84 ug (anaerobic) and 30 ug (aerobic)), respectively, was reported after 60 days incubation(5).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 35(SRC), determined from a structure estimation method(2), indicates that 2-chloro-1-propene should not adsorb to suspended solids and sediment in water(SRC). 2-Chloro-1-propene is expected to volatilize from water surfaces(1,SRC) based on an estimated Henry's Law constant of 7.0X10-2 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Estimated volatilization half-lives for a model river and model lake are 3 hours and 3 days, respectively(1,SRC). Measured half-lives for 2-chloro-1-propene in dilute (1 ppm, average solution depth of 6.5 cm) aqueous solution ranged from 29.7 to 35.8 minutes(4). According to a classification scheme(5), an estimated BCF value of 20(1,SRC), from a measured log Kow(6), suggests that bioconcentration in aquatic organisms is low(SRC). Based on limited data, this compound is expected to be resistant to both anaerobic and aerobic biodegradation(SRC). In anaerobic and aerobic closed bottle tests, using a mixture of 12 chlorinated aliphatic compounds and a methanotroph-conditioned culture inoculum, 10% and 20% removal of 2-chloro-1-propene (initially present at 84 ug (anaerobic) and 30 ug (aerobic)), respectively, was reported after 60 days incubation(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-chloro-1-propene, which has a vapor pressure of 819 mm Hg at 25 °C(SRC), from experimentally-derived coefficients(2), will exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-chloro-1-propene 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 about 1-2 days(3,SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-chloro-1-propene can be estimated to be about 35(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that 2-chloro-1-propene has very high mobility in soil(SRC).

Human Toxicity Excerpts · 2건

SYMPTOMATOLOGY: 1. A. INHALATION, HIGH VAPOR CONCN: GASPING, REFUSAL TO BREATHE, COUGHING, SUBSTERNAL PAIN, & EXTREME RESP DISTRESS @ ... CONCN OVER 1500 PPM. IRRITATION OF EYES & UPPER RESP MUCOSA APPEARS PROMPTLY AFTER EXPOSURE TO CONCENTRATED VAPORS. LACRIMATION AND HEADACHE ARE PROMINENT. COMA MAY OCCUR RAPIDLY. B. INHALATION, LOW VAPOR CONCN: CENTRAL NERVOUS DEPRESSION & MODERATE IRRITATION OF RESP SYSTEM. 2. DERMAL: SEVERE SKIN IRRITATION WITH MARKED INFLAMMATORY RESPONSE OF EPIDERMIS & UNDERLYING TISSUES. /DICHLOROPROPENES/

SYMPTOMATOLOGY: 3. ORAL: ACUTE GI DISTRESS WITH PULMONARY CONGESTION & EDEMA. CNS DEPRESSION, PERHAPS EVEN IN ABSENCE OF IMPAIRED OXYGEN UPTAKE. 4. BY ANY ROUTE, POSSIBLE INJURIES TO LIVER, KIDNEYS & HEART. /DICHLOROPROPENES/

Artificial Pollution Sources · 1건

2-Chloro-1-propene's production and use as a chemical intermediate in organic synthesis and in the formulation of comonomers(1) may result in its release to the environment through various waste streams(SRC). 2-Chloro-1-propene may also be released to the environment in waste streams(SRC) during the production of allyl chloride(2,3).

Environmental Biodegradation · 1건

A mixture of 12 chlorinated aliphatic compounds, including 2-chloro-1-propene, was evaluated in an aerobic batch-fed reactor; 93.75% of the added 2-chloro-1-propene, initially present at 160 ug/l, was degraded over a 6 month period(1). The same mixture of compounds was evaluated in an anaerobic batch-fed reactor; 82.5% of the added 2-chloro-1-propene was degraded over 6 months(1). In anaerobic and aerobic closed bottle tests, using the same mixture of compounds and a methanotroph-conditioned culture inoculum, 10% and 20% removal of 2-chloro-1-propene (initially present at 84 ug (anaerobic) and 30 ug (aerobic)), respectively, was reported after 60 days incubation(1).

Environmental Bioconcentration · 1건

An estimated BCF value of 20 was calculated for 2-chloro-1-propene(SRC), using a measured log Kow of 2.0(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1건

Measured half-lives for 2-chloro-1-propene in dilute (1 ppm, average solution depth of 6.5 cm) aqueous solution ranged from 29.7 to 35.8 minutes(1). The time required for 50 and 90% evaporation of 2-chloro-1-propene from a dilute aqueous solution was 29 and 110 minutes, respectively(2). The Henry's Law constant for 2-chloro-1-propene is estimated as 7.0X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(3). This value indicates that 2-chloro-1-propene will volatilize rapidly from water surfaces(4,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 3 hours(4,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 3 days(4,SRC). 2-Chloro-1-propene's values for vapor pressure, 819 mm Hg at 25 °C(SRC), from experimentally-derived coefficients(5), and Henry's Law constant(3,SRC) indicate that volatilization from dry and moist soil surfaces should occur(SRC).

Non-Human Toxicity Excerpts · 1건

IN A SERIES OF ALLYLIC CHLORO-OLEFINS & THEIR NON-ALLYLIC ISOMERS THE SIGNIFICANCE OF THE ALLYLIC STRUCTURE & THE INFLUENCE OF METHYL & CHLORINE SUBSTITUENTS ON THE DIRECT MUTAGENIC ACTIVITY IN SALMONELLA TYPHIMURIUM (TA 100) WAS TESTED. 2-CHLORO-1-PROPENE DID NOT SHOW ANY DIRECT MUTAGENIC & ALKYLATING PROPERTIES WHEN TESTED ON SALMONELLA TYPHIMURIUM (TA 100).

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of 2-chloro-1-propene with photochemically-produced hydroxyl radicals has been estimated as 1.1X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1-2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

Probable Routes of Human Exposure · 1건

The general population may be exposed to 2-chloro-1-propene via inhalation of ambient air and dermal contact with vapors and products containing 2-chloro-1-propene. Occupational exposure may occur through inhalation or dermal contact at workplaces where 2-chloro-1-propene is produced or used. (SRC)

Environmental Fate/Exposure Summary · 1건

2-Chloro-1-propene's production and use as a chemical intermediate in organic synthesis and in the formulation of comonomers may result in its release to the environment through various waste streams. 2-Chloro-1-propene may also be released to the environment in waste streams during the production of allyl chloride. If released to the atmosphere, 2-chloro-1-propene will exist solely in the vapor phase in the ambient atmosphere, based on an extrapolated vapor pressure of 819 mm Hg at 25 °C. Vapor-phase 2-chloro-1-propene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals with an estimated half-life of about 1-2 days. An estimated Koc value of 35 suggests that 2-chloro-1-propene will have very high mobility in soil. Volatilization from moist soil surfaces is expected based on an estimated Henry's Law constant of 7.0X10-2 atm-cu m/mole. Volatilization from dry soil surfaces is expected given the vapor pressure of this compound. Based on limited data, this compound is expected to be resistant to both anaerobic and aerobic biodegradation in soil and water. In anaerobic and aerobic closed bottle tests, using a mixture of 12 chlorinated aliphatic compounds and a methanotroph-conditioned culture inoculum, 10% and 20% removal of 2-chloro-1-propene, respectively, was reported after 60 days incubation. In water, 2-chloro-1-propene is not expected to adsorb to sediment or particulate matter based on its Koc value. This compound should volatilize from water surfaces given its estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 3 hours and 3 days, respectively. Measured volatilization half-lives in dilute aqueous solution (average solution depth of 6.5 cm) ranged from 29.7 to 35.8 minutes. Bioconcentration in aquatic organisms is expected to be low based on an estimated BCF value of 20. The general population may be exposed to 2-chloro-1-propene via inhalation of ambient air, and dermal contact with vapors and products containing 2-chloro-1-propene. Occupational exposure may occur through inhalation or dermal contact at workplaces where 2-chloro-1-propene is produced or used. (SRC)

규제 정보

DHS Chemicals of Interest (COI) · 4건

2-Chloropropylene

1

10000

Flammable chemical that can be released at a facility.

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H224
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