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2,3,4-Trichloro-1-butene

HCID 17073
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2431-50-7
Standard SMILES
C=C(Cl)C(Cl)CCl
InChIKey
WZUZDBPJFHQVJC-UHFFFAOYSA-N
Molecular formula
C4H5Cl3
Average molar mass
159.44 g/mol
Monoisotopic mass
157.945683

Overview

structure; RN given refers to parent cpd.

Names & identifiers

Preferred name
2,3,4-Trichloro-1-butene
IUPAC
2,3,4-trichlorobut-1-ene
English name
Trichlorobutene
Molecular formula
C4H5Cl3
Molecular weight
159.44

Names & synonyms

2,3,4-TRICHLORO-1-BUTENE2,3,4-Trichlorobut-1-ene2431-50-72,3,4-Trichlorobutene-11-Butene, 2,3,4-trichloro-DTXSID602747446L30TX16VRefChem:81307DTXCID207474219-397-9Butene, 2,3,4-trichloro-, 1-142888-86-6
Show more names
Trichlorobutene2,3,4-Trichlorbut-1-en2,3,4-Trichlorobuta-1-ene
HSDB 5878EINECS 219-397-9BRN 1745897TrichlorbutylenUNII-46L30TX16VWZUZDBPJFHQVJC-UHFFFAOYSA-NDL-2,3,4-TRICHLORO-1-BUTENE2,3,4-Trichlorobutene

Database identifiers

CAS
2431-50-7
PubChem CID
17073
DTXSID
DTXSID6027474
UNII
46L30TX16V
EC Number
219-397-9
Nikkaji
J70.087H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
7
Formal charge
0
Complexity
69.3

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
LogP2.4 (calculated)
Density · 2 items

1.3430 @ 20 °C/4 °C

1.34 g/cm³

Solubility · 2 items

INSOL IN WATER; SOL IN BENZENE, CHLOROFORM

Solubility in water, g/100ml at 20 °C: 0.06

Flash Point · 2 items

63 °C

63 °C c.c.

Boiling Point · 2 items

60 °C @ 20 MM HG

155-162 °C

Melting Point-52 °C
Vapor Pressure · 2 items

1.88 [mmHg]

Vapor pressure, Pa at 20 °C: 230

Refractive IndexINDEX OF REFRACTION: 1.4944 @ 20 °C/D
Physical Description · 2 items

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationREACH registered substance: 2,3,4-trichlorobut-1-ene (EC: 219-397-9)
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 63 °C explosive vapour/air mixtures may be formed.
Hazards Summary · 1 item

Danger of cutaneous absorption; MAC-2 (considered to be carcinogenic for man because sufficient data from long-term animal studies or limited evidence from animal studies substantiated by evidence from epidemiological studies indicate that it can make a significant contribution to cancer risk); [MAK] A skin and eye irritant; [CHEMINFO] Vapor can cause lacrimation; Prolonged skin exposure may cause burns to skin; [eChemPortal: SIDSUNEP] A skin, eye, and respiratory tract irritant; The substance may have effects on the respiratory tract, resulting in tissue lesions. [ICSC]

EC ClassificationSymbol: T, N; R: 22-23-36/37/38-40-50/53; S: (1/2)-36/37-45-60-61
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate for the synthesis of chloroprene; [eChemPortal: SIDSUNEP]
General Manufacturing Information1-Butene, 2,3,4-trichloro-: ACTIVE

Suppliers4 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Colorless liquid; [CHEMINFO]

COLOURLESS LIQUID.

Physicochemical properties

Boiling point
147.67 °C · 147.67°C (estimate)
Density
1.343 · 1.3430
refractive index
1.4944 · 1.4944
EWG's Food Scores
2 · 2
FDA UNII
46 L30TX16V · 46L30TX16V
EPA Substance Registry System
2 · 2,3,4-Trichloro-1-butene (2431-50-7)
Symbol(GHS)
6 · GHS06,GHS08,GHS09
Signal word
Danger
Hazard statements
302 · H302-H315-H319-H331-H335-H351-H410
Precautionary statements
264 · P264-P270-P280-P261-P271-P201-P202-P273-P301+P312-P330-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P311-P312-P308+P313-P391-P403+P233-P405-P501
Hazard Codes
T,N
Risk Statements
22 · 22-23-36/37/38-40-50/53
Safety Statements
36 · 36/37-45-60-61
RIDADR
2322 · UN 2322
TSCA
TSCA listed
HazardClass
6.1 · 6.1
PackingGroup
II
Hazardous Substances Data
2431 · 2431-50-7(Hazardous Substances Data)
Toxicity
50 orl-rat: · LD50 orl-rat: 341 mg/kg GISAAA 46(1),92,81
REACH Registrations
Active
Chemical DangersReacts with reducing agents and strong oxidants. Decomposes on heating and on burning. This produces toxic and corrosive fumes.
Packaging and LabellingMarine pollutant.
DOT Emergency Guidelines · 5 items

/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Trichlorobutene/

/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Trichlorobutene/

/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Trichlorobutene/

/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Trichlorobutene/

For more DOT Emergency Guidelines (Complete) data for 2,3,4-TRICHLORO-1-BUTENE (8 total), please visit the HSDB record page.

Hazard Classes and Categories · 4 items

Acute Tox. 4 (100%)

Carcinogenicity - category 2

Flammable liquids - Category 4

Carc. 2

Shipment Methods and Regulations · 2 items

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Safety & protection

Fire FightingUse water spray, powder, foam, carbon dioxide.
First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageProvision to contain effluent from fire extinguishing. Separated from incompatible materials. See Chemical Dangers. Well closed.
Spillage Disposal · 1 item

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Do NOT let this chemical enter the environment. Cover the spilled material with plastic sheet. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 63 °C use a closed system, ventilation and explosion-proof electrical equipment.
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 PreventionAVOID ALL CONTACT!
Ingestion PreventionDo not eat, drink, or smoke during work. Wash hands before eating.
Inhalation PreventionUse closed system.
Effects of Long Term ExposureThe substance may have effects on the respiratory tract. This may result in tissue lesions.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 3 items

Cough. Sore throat. Lethargy. Nausea.

Redness. Pain.

Redness. Pain.

ICSC Environmental DataThe substance is harmful to aquatic organisms. The substance may cause long-term effects in the aquatic environment. It is strongly advised not to let the chemical enter into the environment.
Toxicity DataLC50 (rat) = 90 ppm/4h

Safety data

tsca
TSCA listed
ridadr
UN 2322
Toxicity
LD50 orl-rat: 341 mg/kg GISAAA 46(1),92,81
risk_code
22-23-36/37/38-40-50/53
Signal word
Danger
Symbol(GHS)
GHS06,GHS08,GHS09
hazard_code
T,N
safety_code
36/37-45-60-61
hazard_class
6.1
packing_group
II
Hazard statements
H302-H315-H319-H331-H335-H351-H410
REACH Registrations
Active
Precautionary statements
P264-P270-P280-P261-P271-P201-P202-P273-P301+P312-P330-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P311-P312-P308+P313-P391-P403+P233-P405-P501
Hazardous Substances Data
2431-50-7(Hazardous Substances Data)