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시클로부탄

Cyclobutane

HCID 9250
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
287-23-0
표준 SMILES
C1CCC1
InChIKey
PMPVIKIVABFJJI-UHFFFAOYSA-N
분자식
C4H8
평균 분자량
56.11 g/mol
단동위원소 질량
56.06260026

개요

Gas that condenses to a liquid at 55 °F. Insoluble in water. Soluble in alcohol, acetone and ether. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket.

이름 및 식별자

우선 이름
Cyclobutane
IUPAC
cyclobutane
현지명
시클로부탄
영어명
Cyclobutane
분자식
C4H8
분자량
56.11

이름 및 동의어

CYCLOBUTANE287-23-0TetramethyleneUNII-5X619RB2CYHSDB 585X619RB2CYEINECS 206-014-5DTXSID2059772CHEBI:30377RefChem:5716DTXCID6037853206-014-5
이름 더 보기
시클로부탄사이클로부탄Cyclobutan
UN2601Cyclobutane [UN2601] [Flammable gas]CYCLOBUTANE [MI]cyclobutane, tetramethyleneSCHEMBL893CYCLOBUTANE [HSDB]SCHEMBL1997SCHEMBL2088

데이터베이스 식별자

CAS
287-23-0
PubChem CID
9250
DTXSID
DTXSID2059772
ChEBI
CHEBI:30377
UNII
5X619RB2CY
EC Number
206-014-5
Nikkaji
J2.562C

물성

구조 계산 물성

XLogP
2.5
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
8

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Simple Asphyxiants

Flammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling
Density0.7038 AT 0 °C; 0.7125 @ 5 °C
Color/FormColorless gas
Solubility · 2건

INSOL IN WATER; FREELY SOL IN ALCOHOL, ACETONE

Sol in ethanol, ether, and acetone

Flash PointBELOW 50 °F Closed Cup
Boiling Point13.08 °C @ 741 MM HG
DecompositionWhen heated to decomposition it emits acrid smoke and fumes.
Melting Point-80 °C
Vapor Density1.93 (AIR= 1)
Vapor Pressure1.18X10+3 mm Hg @ 25 °C
Refractive Index

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H220 (100%): Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P377, P381, P403, and P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe 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 Gas
Fire Hazards · 2건

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

· EXTREMELY FLAMMABLE.

Fire PotentialVERY DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.
Health Hazards · 2건

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Hazards Summary · 1건

Fire hazard; [Hawley] In confined space spill, may displace air and act as simple asphyxiant; [HSDB] Evaporating liquid can cause frostbite; May cause asphyxiation without warning; [CAMEO] May cause difficulty breathing and suffocation; Evaporating liquid can cause frostbite; [MSDSonline] See n-Butane.

DOT ID and Guide2601 115
Reactive Group

화학 및 산업

용도 및 제조

Uses · 2건

Used as intermediate in organic synthesis; [HSDB]

INT IN ORGANIC SYNTHESIS

Methods of Manufacturing · 3건

DISTILLATION OF PETROLEUM

PREPD BY HYDROGENATION OF CYCLOBUTENE IN PRESENCE OF NICKEL @ 100 °C. BY PYROLYSIS OF ETHER, ALONG WITH OTHER PRODUCTS. IN 39% YIELD FROM CYCLOBUTANECARBOXYLIC ACID.

Catalytic hydrogenation of cyclobutene

General Manufacturing Information · 2건

Cyclobutane: ACTIVE

THE GAS.../SRP: HAS BEEN/ USED AS AN ANESTHETIC, BUT IT IS A WEAK CARDIAC SENSITIZER, AND A SIMPLE ASPHYXIANT.

응용 분야

일반 설명Gas that condenses to a liquid at 55°F. Density of liquid 0.7 g / cm3. Insoluble in water. Soluble in alcohol, acetone and ether. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket.

제조 방법

생산 방법Cyclobutane is produced from cyclobutene and reutilized in catalytic cracking processes.

상·하류 제품 정보

상류 원료

Cyclobutene

하류 제품

Cyclobutyl chloride1-부텐

공급사7 곳

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

관련 반응

10건
반응 기록 만들기
HRID 211322 반응식
HRID 211322반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 494009 반응식
HRID 494009반응물로uspto-grants-2009_05
HRID 851560 반응식
HRID 851560반응물로uspto-grants-1983_05
HRID 851561 반응식
HRID 851561반응물로uspto-grants-1983_05
HRID 953230 반응식
HRID 953230반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 953579 반응식
HRID 953579반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1223460 반응식
HRID 1223460반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1548267 반응식
HRID 1548267반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
INDEX OF REFRACTION: 1.3625 @ 290 °C/D

물리화학적 성질

녹는점
-80 ° · -80°
끓는 점
741 · bp741 13.08°
밀도
0 · d0 0.7038; d-5 0.7185
굴절률
0 · nD0 1.37520
Henry's Law Constant
1.3 · 1.3×10-6 mol/(m3Pa) at 25℃, Hayer et al. (2022)
EPA
Cyclobutane (287-23-0)

화학적 성질

Cyclobutane is a colorless, flammable, explosive gas.

Hydrocarbons, Aliphatic Saturated
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

CYCLOBUTANE may be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted material and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.

DOT Emergency Guidelines · 5건

/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Fire or Explosion: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. CAUTION: Hydrogen (UN1049), Deuterium (UN1957), Hydrogen, refrigerated liquid (UN1966) and Methane (UN1971) are lighter than air and will rise. Hydrogen and Deuterium fires are difficult to detect since they burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket.

/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Health: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases.

/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ 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 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas.

/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. Always wear thermal protective clothing when handling refrigerated/cryogenic liquids.

For more DOT Emergency Guidelines (Complete) data for CYCLOBUTANE (8 total), please visit the HSDB record page.

DOT Hazard Classification · 3건

Cyclobutane

UN2601

Div 2.1 Flammable gas (49 eCFR § 173.115)

안전 및 보호

Fire FightingExcerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:
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 115 [Gases - Flammable (Including Refrigerated Liquids)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting ProceduresSTOP FLOW OF GAS; CARBON DIOXIDE, DRY CHEMICAL, OR WATER SPRAY.
Nonfire Spill ResponseExcerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:
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.

Isolation and Evacuation · 2건

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

Immediate precautionary measure

Threshold Limit Values (TLV)1000.0 [ppm]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:
Emergency Response Planning Guidelines· DO NOT EXTINGUISH A LEAKING GAS FIRE UNLESS LEAK CAN BE STOPPED.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 49(SRC), determined from a structure estimation method(2), indicates that cyclobutane is expected to have very high mobility in soil(SRC). Volatilization of cyclobutane from moist soil surfaces is expected to be important(SRC) given an estimated Henry's Law constant of 0.14 atm-cu m/mole(3). The potential for volatilization of cyclobutane from dry soil surfaces may exist(SRC) based on a vapor pressure of 1.18X10+3 mm Hg(4). Activated sludge tests suggest that biodegradation of cyclobutane is expected to be slow in soil(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 49(SRC), determined from a structure estimation method(2), indicates that cyclobutane is not expected to adsorb to suspended solids and sediment in water(SRC). Cyclobutane is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 0.14 atm-cu m/mole(4). Estimated volatilization half-lives for a model river and model lake are 2 hrs and 3 days, respectively(3,SRC). According to a classification scheme(5), an estimated BCF of 10(3,SRC), from an estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Cyclobutane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). Activated sludge tests suggest that biodegradation of cyclobutane is expected to be slow in water(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclobutane, which has a vapor pressure of 1.18X10+3 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cyclobutane 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 10 days(3,SRC). Cyclobutane is not expected to undergo direct photolysis due to the lack of absorption in the environmental spectrum(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent ConcentrationsCyclobutane was found to be an emission from commercial natural gas, but not from gasoline or vehicle exhausts(1).
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for cyclobutane can be estimated to be about 49(SRC). According to a classification scheme(2), this estimated Koc value suggests that cyclobutane is expected to have very high mobility in soil(SRC).

Human Toxicity ExcerptsMAY BE SIMPLE ASPHYXIANT.
Artificial Pollution SourcesCyclobutane's production and use in organic synthesis(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1건

When incubated with either adapted or nonadapted activated sludge, cyclobutane underwent <25% of the theoretical BOD in 24 hrs(1). Pure culture studies showed various isolated species of bacteria were unable to utilize cyclobutane as the sole carbon source in soil(2).

Environmental Bioconcentration · 1건

An estimated BCF of 10 was calculated for cyclobutane(1,SRC), using an estimated log Kow of 2.19(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

Volatilization from Water/Soil · 1건

The Henry's Law constant for cyclobutane is estimated as 0.14 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that cyclobutane is expected to volatilize rapidly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is approximately 2 hours(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is approximately 3 days(2,SRC). Cyclobutane's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of cyclobutane from dry soil surfaces may exist(SRC) based on a vapor pressure of 1.18X10+3 mm Hg(3).

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of cyclobutane with photochemically-produced hydroxyl radicals of 1.20X10-12 cu cm/molecule-sec at 25 °C(1) corresponds to an atmospheric half-life of about 10 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2,SRC). Cyclobutane is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental spectrum.

Probable Routes of Human Exposure · 2건

INDUSTRIALLY...NOT EXPECTED TO BE HEALTH HAZARD.

Occupational exposure to cyclobutane may occur through inhalation and dermal contact with this compound at workplaces where cyclobutane is produced or used. (SRC)

Environmental Water ConcentrationsSURFACE WATER: Cyclobutane was detected in 1 of 8 Rhine River water samples, 1989, at a concn of 0.027 ug/l(1).

안전 데이터

tsca
TSCA listed
ridadr
UN 2601
위험 등급
2.1
유해 물질 데이터
287-23-0(Hazardous Substances Data)
Syntechem Co.,Ltd[email protected]
南通合润生物科技有限公司18362409333 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]