Basic information
- CAS
102687-65-0- Standard SMILES
FC(F)(F)/C=C/Cl- InChIKey
LDTMPQQAWUMPKS-OWOJBTEDSA-N- Molecular formula
- C3H2ClF3
- Average molar mass
- 130.49 g/mol
- Monoisotopic mass
- 129.9797124
Overview
a foam blowing and precision cleaning agent with a very low impact for global warming and ozone depletion; structure in first source
Names & identifiers
- Preferred name
- trans-1-Chloro-3,3,3-trifluoropropene
- IUPAC
- (E)-1-chloro-3,3,3-trifluoroprop-1-ene
- English name
- trans-1-Chloro-3,3,3-trifluoroprop-1-ene
- Molecular formula
- C3H2ClF3
- Molecular weight
- 130.5
Names & synonyms
102687-65-01-Propene, 1-chloro-3,3,3-trifluoro-, (1E)-trans-1-chloro-3,3,3-trifluoropropenetrans-HCFO-1233zdRefChem:431253HCFO-1233zdHcfo-lba 2(E)-1-chloro-3,3,3-trifluoroprop-1-eneHCFC-1233ZdPropene, 1-chloro-3,3,3-trifluoro-(1E)-1-chloro-3,3,3-trifluoroprop-1-eneR-1233ZD
Show more names
1233ZDHalothane Impurity 281-chloro-3,3, 3-trifluoropropylene(E)-1-chloro-3,3,3-trifluoropropenetrans-1-Chloro-3,3,3-trifluoroprop-1-ene
UNII-4B96DT2BYB1,1,1-trifluoro-3-chloro-2-propene1-Propene, 1-chloro-3,3,3-trifluoro-1-Propene,1-chloro-3,3,3-trifluoro-99728-16-2(1E)-1-Chloro-3,3,3-trifluoro-1-propene1-Propene, 1-chloro-3,3,3-trifluoro-, (1Z)-(e)-1-chloro-3,3,3-trifluoro-1-propene
Database identifiers
- CAS
102687-65-0、2730-43-0- PubChem CID
- 5709018
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.7
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physical DescriptionCBI; Gas Vapor; Liquid
Physicochemical properties
- Boiling point
- 20.8 °C · 20.8 °C
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- vapor pressure
- 106.5 kPa · 106.5kPa at 19.93℃
- form
- Liquifiedgas
- Cosmetics Ingredients Functions
- SOLVENT
- InChI
- InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+
- InChIKey
- LDTMPQQAWUMPKS-OWOJBTEDSA-N
- SMILES
- C(/Cl)=C\C(F)(F)F
- LogP
- 2.2 at · 2.2 at 25℃ and pH7.4
- Surface tension
- 12.68 mN/m · 12.68mN/m at 298.15K
- EPA Substance Registry System
- 1 · 1-Propene, 1-chloro-3,3,3-trifluoro-, (1E)- (102687-65-0)
Safety & regulation
GHS classification
GHS Classification
Warning
H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]
P273, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 199 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propene, 1-chloro-3,3,3-trifluoro-, (1E)-
1-Propene, 1-chloro-3,3,3-trifluoro-, (1E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 1-chloro-3,3,3-trifluoro-, (1E)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10762
Solstice HFO-1233zd: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesPress. Gas (Comp.) (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS04
- Hazard statements
- H412-H280
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P410+P403
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Uses & manufacturing
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesRefrigerants
Industry UsesPropellants, non-motive (blowing agents)
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
1-Propene, 1-chloro-3,3,3-trifluoro-, (1E)-: ACTIVE
Applications
UsesTrans-1-Chloro-3,3,3-trifluoroprop-1-ene is a non-flammable, liquid-blowing agent with a boiling point chosen to room temperature. It has been tested in applications such as, but not limited to, appliances, pour-in-place, panels, and spray foam using existing equipment and tooling and requiring no modifications to the current foam process.
Upstream & downstream products
Downstream products
Suppliers45 total
Related reactions
1 records
Compound notes
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