1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene

HCID 9672

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Basic information

CAS: 360-53-2
Standard SMILES: COC(F)=C(C(F)(F)F)C(F)(F)F
InChIKey: FSDLLONBRLBIBL-UHFFFAOYSA-N
Molecular formula: C5H3F7O
Average molar mass: 212.07 g/mol
Monoisotopic mass: 212.00721226

Names & identifiers

Preferred name: 1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene
IUPAC: 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
English name: 1-Methoxy-(perfluoro-2-methyl-1-propene)
Molecular formula: C5H3F7O
Molecular weight: 212.07

Names & synonyms

1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene1-methoxy(perfluoro-2-methyl-1-propene)DTXSID5073167RefChem:412307DTXCID2039124671-732-1360-53-21,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene1-Propene, 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)-1,1,1,3-tetrafluoro-2-(trifluoromethyl)-4-oxapent-2-eneMethyl perfluoroisobutenyl etherHeptafluoroisobutylene methyl ether

Show more names

DAIKIN F-9304methylperfluoroimethylperfluoroisobutenyletherether,methylheptafluoroisobutenylheptafluoroisobutylenemethylether1-METHOXY(PERFLUORO-2-METHYLPROP-1-ENE)1-Methoxy(perfluoro-2-methylprop-1-ene)97%ether,methyltetrafluoro-2-(trifluoromethyl)propenyl

ETHER, METHYL HEPTAFLUOROISOBUTENYL1-Methoxy-(perfluoro-2-methyl-1-propene)BRN 1787514MFCD00054679Ether, methyl 1,3,3,3-tetrafluoro-2-(trifluoromethyl)propenyl4-01-00-03454 (Beilstein Handbook Reference)1-methoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-eneSCHEMBL154401

Database identifiers

CAS: 360-53-2
PubChem CID: 9672
DTXSID: DTXSID5073167
EC Number: 671-732-1
Nikkaji: J27.132B

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 194

Physicochemical properties

Boiling point: 98 °C · 98 °C
Density: 1.508 · 1.508
refractive index: 1.317 · 1.317
form: liquid
Specific Gravity: 1.508 · 1.508
color: Clear
EPA Substance Registry System: 1 · 1-Propene, 1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)- (360-53-2)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 280 · P280
Hazard Codes: T
Risk Statements: 23 · 23/24/25
Safety Statements: 26 · 26-36-45
RIDADR: 2810 · 2810
HazardClass: TOXIC
HS Code: 2909199090 · 2909199090
Toxicity: 50 · mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (33.3%)

Safety data

ridadr: 2810
hs_code: 2909199090
Toxicity: mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
risk_code: 23/24/25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36-45
hazard_class: TOXIC
Hazard statements: H301+H311+H331
Precautionary statements: P280