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2-(Trichloromethyl)oxirane

HCID 18321
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3083-23-6
Standard SMILES
ClC(Cl)(Cl)C1CO1
InChIKey
VFEXYZINKMLLAK-UHFFFAOYSA-N
Molecular formula
C3H3Cl3O
Average molar mass
161.41 g/mol
Monoisotopic mass
159.924948

Names & identifiers

Preferred name
2-(Trichloromethyl)oxirane
IUPAC
2-(trichloromethyl)oxirane
English name
(trichloromethyl)oxirane
Molecular formula
C3H3Cl3O
Molecular weight
161.41

Names & synonyms

2-(Trichloromethyl)oxirane(Trichloromethyl)oxirane3083-23-61,2-Epoxy-3,3,3-trichloropropaneOxirane, (trichloromethyl)-Trichloroepoxypropane3,3,3-Trichloropropylene oxideTrichloropropylene oxide1,1,1-TRICHLORO-2,3-EPOXYPROPANE1,1,1-Trichloropropene oxide3,3,3-Trichloropropene oxide1,1,1-Trichloropropylene oxide
Show more names
TRICHLOROPROPANEOXIDETRICHLOROPROPYLENEOXIDEOxirane, 2-(trichloromethyl)-3,3,3-TRICHLOROPROPYLENEOXIDE3,3,3-TRICHLOROPROPYLENE1,2-OXIDETrichloropropene Oxide Discontinued
3,3,3-TrichloroepoxypropanePropane, 1,1,1-trichloro-2,3-epoxy-1,1,1-Trichloro-2-propene oxide1,1,1-Trichloropropane 2,3-oxide1,1,1-Trichloropropene 2,3-oxide3,3,3-Trichloro-1,2-epoxypropane1,1,1-Trichloropropane 2,3-epoxide1,1,1-Trichloropropene-2,3-oxide

Database identifiers

CAS
3083-23-6
PubChem CID
18321
DTXSID
DTXSID3025251
UNII
IQ92Z3552X
EC Number
221-384-8
Nikkaji
J2.171G

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
76

Experimental & physicochemical properties

Density1.495 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 0.1 mg/mL at 65.3 °F (NTP, 1992)
Flash Point152 °F (NTP, 1992)
Boiling Point300 °F at 764 mmHg (NTP, 1992)
Vapor Pressure · 2 items

11.6 mmHg at 77 °F ; 28.5 mmHg at 108 °F; 65.5 mmHg at 149 °F (NTP, 1992)

11.6 [mmHg]

Physical Description · 2 items

1,2-epoxy-3,3,3-trichloropropane is a clear colorless liquid. (NTP, 1992)

Clear colorless liquid; [CAMEO]

Kovats Retention Index885

Physicochemical properties

Boiling point
226.05 °C · 226.05°C (rough estimate)
Density
1.495 · 1.4950

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (100%): Suspected of causing cancer [Warning Carcinogenicity];H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryIntraperitoneal LD50 (rat) = 142 mg/kg; [RTECS] Enhances the tumor initiating ability of some carcinogens; [ChemIDplus] Highly flammable and polymerizable; [CAMEO] See Epibromohydrin and Epichlorohydrin.
Reactive GroupHalogenated Organic Compounds;Epoxides;Polymerizable Compounds
Reactivity AlertsPolymerizable
Reactivity Profile · 1 item

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Uses & manufacturing

UsesUsed as a fireproofing agent and polymer intermediate; [NTP]
Applications · 3 items

UsesTrichloropropene Oxide is an epoxide hydratase inhibitor and possess potential carcinogenic properties.

UsesTrichloropropene Oxide is a epoxide hydratase inhibitor and possess potential carcinogenic properties.

General DescriptionClear colorless liquid.

Suppliers7 total

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

7 records
New reaction record
HRID 127950 reaction equation
HRID 127950As reactantuspto-grants-1981_03
HRID 127954 reaction equation
HRID 127954As reactantuspto-grants-1981_03
HRID 152929 reaction equation
HRID 152929As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1075145 reaction equation
HRID 1075145As reactantuspto-grants-1983_07
HRID 1763451 reaction equation
HRID 1763451As reactantuspto-grants-1978_09
HRID 2135484 reaction equation
HRID 2135484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2135818 reaction equation
HRID 2135818As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
refractive index
1.4737 · 1.4737 (estimate)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
CAS DataBase Reference
3083 · 3083-23-6
FDA UNII
92 Z3552X · IQ92Z3552X
EPA Substance Registry System
1 · 1,1,1-Trichloro-2,3-epoxypropane (3083-23-6)
Symbol(GHS)
8 · GHS08,GHS07,GHS02
Signal word
Warning
Hazard statements
332 · H332-H302-H319-H351-H373-H312-H335-H315-H226
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P260-P314-P501
Toxicity
740 mg/plate · mmo-sat 740 mg/plate APSXAS 17,189,80

Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (100%);STOT SE 3 (100%);Carc. 2 (100%);STOT RE 2 (100%)

Safety & protection

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

Toxicity
mmo-sat 740 mg/plate APSXAS 17,189,80
Signal word
Warning
Symbol(GHS)
GHS08,GHS07,GHS02
Hazard statements
H332-H302-H319-H351-H373-H312-H335-H315-H226
Precautionary statements
P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P260-P314-P501
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]