Basic information
- CAS
1514-87-0- Standard SMILES
COC(=O)C(F)(F)Cl- InChIKey
AWUPLMYXZJKHEG-UHFFFAOYSA-N- Molecular formula
- C3H3ClF2O2
- Average molar mass
- 144.5 g/mol
- Monoisotopic mass
- 143.97896346
Names & identifiers
- Preferred name
- Methyl chlorodifluoroacetate
- IUPAC
- methyl 2-chloro-2,2-difluoroacetate
- English name
- Methyl chlorodifluoroacetate
- Molecular formula
- C3H3ClF2O2
- Molecular weight
- 144.5
Names & synonyms
Methyl chlorodifluoroacetate1514-87-0Methyl 2-chloro-2,2-difluoroacetateAcetic acid, 2-chloro-2,2-difluoro-, methyl esterEINECS 216-154-9DTXSID5061742AWUPLMYXZJKHEG-UHFFFAOYSA-RefChem:157819DTXCID8034900216-154-9AWUPLMYXZJKHEG-UHFFFAOYSA-NInChI=1/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
Show more names
CHLORODIFLUOROACETATEMethyldifluorochlorateMethylchlorodifluoroacetate99%Methyl chlorodifluoroacetate 99%METHYL DIFLUOROCHLOROACETIC ACIDMethyl Chlorodifluoroacetate >Methyl5-Chloro-3,4-dibromobenzoateMethy1 2-chloro-2,2-difluoroacetate
Chlorodifluoroacetic Acid Methyl Estermethyl chloro(difluoro)acetateAcetic acid, chlorodifluoro-, methyl esterMFCD00000775ClCF2COOMeClCF2CO2Memethyl chlorodifluroacetateKU7C5W6LVK
Database identifiers
- CAS
1514-87-0- PubChem CID
- 73935
- DTXSID
DTXSID5061742- UNII
- KU7C5W6LVK
- EC Number
- 216-154-9
- Nikkaji
- J206.718H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 79 · 79-81 °C(lit.)
- Density
- 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.349(lit.)
- Flash point
- 67 °F · 67 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Liquid
- Specific Gravity
- 1.371 · 1.371
- color
- Clear colorless
- Sensitive
- Moisture Sensitive
- BRN
- 1756072 · 1756072
- InChI
- InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
- InChIKey
- AWUPLMYXZJKHEG-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(Cl)(F)F
- CAS DataBase Reference
- 1514 · 1514-87-0(CAS DataBase Reference)
- EPA Substance Registry System
- Acetic acid, chlorodifluoro-, methyl ester (1514-87-0)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAcetic acid, chlorodifluoro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2924 3/PG 2
- hs_code
- 29159000
- risk_code
- 11-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- hazard_note
- Highly Flammable/Moisture Sensitive
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H314
- Limited Quantities
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-, methyl ester: ACTIVE
Applications
UsesMethyl chlorodifluoroacetate was used in preparation of 2,2-difluoro-3-hydroxyesters and gem-difluorocyclopropane.
General DescriptionMethyl chlorodifluoroacetate is a trifluoromethylating agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
121 records
Compound notes
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