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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13556Generated: October 23, 2026

1,3-Dichloro-2-butene

Isomerengemisch · 1,3-Dichlor-2-buten · 1,3-dichlorobutylene · 1,3-Dichlor-2-butene · 1,3-dichloro-2-buten · 1,3-Dichlorobutene-2 · 1,3-dichlorobut-2-ene · 1,3-Dichloro-2-butene

https://huagongshe.com/en/chemical/13556

1,3-Dichloro-2-butene molecular structure

Identifiers & Physical Properties

CAS No.926-57-8
Molecular formulaC4H6Cl2
Average molar mass124.99 g/mol
Monoisotopic mass123.98465555 g/mol
SMILESCC(Cl)=CCCl
InChIKeyWLIADPFXSACYLS-UHFFFAOYSA-N
PubChem CID13556
EC No.213-138-3
DTXSIDDTXSID7027338

Chemical & Physical Properties

XLogP2.1
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds1
Heavy atoms6
Formal charge0
Complexity56.6
Chemical classesOther Classes -> Halogenated Aliphatics, UnsaturatedFlammable agents - 3rd degree
LogP (partition coefficient)2.84
Density1.161Relative density (water = 1): 1.2
Color/FormCLEAR TO STRAW-COLORED LIQUID
SolubilityINSOL IN WATERSOL IN MOST COMMON ORGANIC SOLVENTSSoluble in acetone, benzene, ether and ethanolSolubility in water: reactionInsoluble in water
Flash point27 °C80 °F (CLOSED CUP)27 °C c.c.33 °C
Boiling point131 °C126 °C125-129 °C
DecompositionWhen heated to decomposition it emits toxic vapros of /hydrogen chloride/.
Melting point-75 °C-27.02°C (estimate)
Vapor density4.31 (Air = 1)Relative vapor density (air = 1): 4.3
Vapor pressure12.6 [mmHg]Vapor pressure, kPa at 25 °C: 1.33
Refractive indexIndex of refraction: 1.4692 @ 20 °C/D1.469-1.473
Storage conditions0-6°C
Physical stateclear liquid
ColorColorless to Light yellow
SensitivityMoisture Sensitive
BRN906754
Henry's law constant2.6×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
EWG's Food Scores1
FDA UNIIJI8009BEDK
EPA Substance Registry System2-Butene, 1,3-dichloro- (926-57-8)
GHS pictogramGHS02,GHS05,GHS06,GHS09
Signal wordDanger
GHS hazard statementsH301+H331-H314-H411-H226
GHS precautionary statementsP501-P273-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Hazard symbolsXn
Risk statements (R)36/37/38-20-10
Safety statements (S)37/39-26
UN transport number1993
RTECS numberEM4760000
TSCA inventory statusTSCA listed
Hazard class3
Packing groupIII
Customs code29032900
Hazardous substances data926-57-8(Hazardous Substances Data)
REACH registrationsActive

Safety & Regulations

GHS classificationDangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationREACH registered substance: 1,3-dichlorobut-2-ene (EC: 213-138-3)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.)
Fire hazardsFlammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 27 °C explosive vapour/air mixtures may be formed.
Fire potentialFIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME.
Hazards summaryA skin, eye, and respiratory tract irritantExposure to high vapor concentrations can cause severe respiratory distress, lacrimation, and possibly comaInhalation of low concentrations may cause CNS depressionMay cause kidney, liver, and heart injuryEmergency medical treatment: chlorinated hydrocarbon insecticides[HSDB] Corrosive to rabbit skinOccupational exposures demonstrate irritation and corrosive injuries to skin, with the vapor causes eye and respiratory tract irritationA possible carcinogen based on the structural analog 1,3-Dichloropropene (DCP) CAS # 542-75-6, which has an IARC classification of possible human carcinogenNo evidence of reproductive or developmental toxicity in rats or rabbits[SIDS UNEP]
UN classificationUN Hazard Class: 3UN Pack Group: III
Special ReportsA REVIEW WITH 17 REFERENCES ON TOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE & 1,4-DICHLORO-BUTENE.[CLARY JJTOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE, & 1,4-DICHLORO-2-BUTENEENVIRON HEALTH PERSPECT 21: 269 (1977)]
Chemical DangersDecomposes on heating. This produces hydrogen chloride.
NFPA Hazard Classification2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.0 - Materials that in themselves are normally stable, even under fire conditions.
Toxic Combustion ProductsWhen heated to decomposition it emits toxic vapros of /chloride/.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)Flammable agents - 3rd degree, Reactive agents - 2nd degree
Explosive Limits and PotentialExplosive limits , vol% in air: 2-13
Fire fightingUse fine water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First aid measuresFresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.
Safe storageFireproof. Ventilation along the floor. Well closed. Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Fire fighting proceduresFOAM, CARBON DIOXIDE, DRY CHEMICAL...If material on fire or involved in fire: Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors. /Dichlorobutene/
Disposal methodsSRP: 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.
Spillage disposalPersonal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive MeasuresSRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.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. Use water spray to knock-down vapors. /Dichlorobutene/Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... 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. Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. If contact with the material anticipated, wear appropriate chemical protective clothing. /Dichlorobutene/
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 27 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSTRICT HYGIENE!
Environmental fateTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene is expected to have high mobility in soil(SRC). Volatilization of 1,3-dichloro-2-butene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.8X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1,3-dichloro-2-butene from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 12.6 mm Hg(SRC), determined from a fragment constant method(4). The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(5). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in moist soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.8X10-2 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 1 hour and 4.4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 30(SRC), from an estimated log Kow of 2.84(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(8). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dichloro-2-butene, which has an estimated vapor pressure of 12.6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dichloro-2-butene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC). The half-life for the reaction in air with hydroxyl radicals is estimated to be 27 hours(SRC), calculated from its rate constant of 1.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The half-life for the reaction in air with ozone is estimated to be 8 days(SRC), calculated from its rate constants of 1.4X10-18 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).
Adverse effectsNeurotoxin - Other CNS neurotoxin
Exposure routesThe substance can be absorbed into the body in hazardous amounts by inhalation of its vapour, through the skin and by ingestion. Serious local effects by all routes of exposure.
Signs and SymptomsCough. Sore throat.Redness. Pain. Skin burns.Cough. Burning sensation in the throat and chest.
Effluent ConcentrationsDichlorobutene (isomer not specified) was detected in 1 of 63 industrial effluents (concn of 10-100 ug/L) collected from a wide range of chemical manufacturers across the US(1).
ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for 1,3-dichloro-2-butene can be estimated to be 125(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-dichloro-2-butene is expected to have high mobility in soil.
Human Toxicity ExcerptsSymptomatology: 1A) Inhalation, high vapor concn: gasping, refusal to breathe, coughing, substernal pain, & extreme respiratory distress at vapor concn over 1500 ppm. Irritation of eyes & upper respiratory mucosa appears promptly after exposure to concentrated vapors. Lacrimation & headache are prominent. Coma may occur rapidly. B) Inhalation, low vapor concn: central nervous depression & moderate irritation of respiratory system. Headache is frequent. 2) Dermal: severe skin irritation with marked inflammatory response of epidermis & underlying tissues. 3) Oral: acute gastrointestinal distress with pulmonary congestion & edema. Central nervous depression, perhaps even in the absence of impaired oxygen uptake. 4) By any route, possible late injuries to liver, kidneys & heart. 5) After inhalation exposures, malaise, headache, chest & abdominal discomfort & irritability have been reported to persist for several weeks & perhaps for several years.
Artificial Pollution Sources1,3-Dichloro-2-butene's occurrence as a by-product in the production of chloroprene(1) may release the compound to the environment(SRC).
Environmental BioconcentrationAn estimated BCF of 30 was calculated for 1,3-dichloro-2-butene(SRC), using an estimated log Kow of 2.84(1) 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/SoilThe Henry's Law constant for 1,3-dichloro-2-butene is estimated as 3.8X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,3-dichloro-2-butene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.4 days(SRC). 1,3-Dichloro-2-butene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,3-dichloro-2-butene from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 12.6 mm Hg(SRC), determined from a fragment constant method(3).
Non-Human Toxicity ExcerptsToxicity of chlorinated butenes depended on the number of Cl atoms and their positions. Dichlorobutenes, for example, were more toxic than the trichlorobutenes. ... Among 3 dichlorobutenes, 1,4-dichloro-2-butene with Cl atoms both on the terminal C and in allylic position was most toxic. In 1,3-dichloro-2-butene, the same Cl is both terminal and allylic and is moderately toxic3,4-dichloro-1-butene was the least toxic. The toxicity may be increased by oxidation of the double bond and migration of Cl to the terminal C atom or by forming a chloroanhydride group.
TSCA inventory statusTSCA listed
RTECS numberEM4760000
UN transport number1993
Customs code29032900
Risk statements (R)36/37/38-20-10
Signal wordDanger
GHS pictogramGHS02,GHS05,GHS06,GHS09
Hazard symbolsXn
Safety statements (S)37/39-26
Hazard class3
Packing groupIII
GHS hazard statementsH301+H331-H314-H411-H226
REACH registrationsActive
GHS precautionary statementsP501-P273-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Hazardous substances data926-57-8(Hazardous Substances Data)