CAS 18599-22-9 4-Bromo-3,3,4,4-tetrafluoro-1-butene (HCID 87721)

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Basic information

CAS: 18599-22-9
Standard SMILES: C=CC(F)(F)C(F)(F)Br
InChIKey: GVCWGFZDSIWLMO-UHFFFAOYSA-N
Molecular formula: C4H3BrF4
Average molar mass: 206.96 g/mol
Monoisotopic mass: 205.93543

Names & identifiers

Preferred name: 4-Bromo-3,3,4,4-tetrafluoro-1-butene
IUPAC: 4-bromo-3,3,4,4-tetrafluorobut-1-ene
English name: 4-Bromo-3,3,4,4-tetrafluoro-1-butene
Molecular formula: C4H3BrF4
Molecular weight: 206.96

Names & synonyms

4-Bromo-3,3,4,4-tetrafluoro-1-butene18599-22-94-Bromo-3,3,4,4-tetrafluorobut-1-ene1-Butene, 4-bromo-3,3,4,4-tetrafluoro-EINECS 242-440-8T08C3OEQ6EGVCWGFZDSIWLMO-UHFFFAOYSA-RefChem:519807InChI=1/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2C4H3BrF4MFCD000421894-Bromo-3,3,4,4-tetrafluorobutene-1

Show more names

BTFBuoro-1-butene4-Bromo-3,3,4,4-tet4-Bromo-3,3,4,4-tertrafluorobutene4-bromo-3,3,4,4-tetrafluoro-1-buten3,3,4,4-Tetrafluoro-4-bromo-1-butene1-Butene,4-bromo-3,3,4,4-tetrafluoro-

UNII-T08C3OEQ6E1-bromo-1,1,2,2-tetrafluoro-3-buteneSCHEMBL51392DTXSID40663892-Vinyl(1-bromoperfluoroethane)FD2036SBB093778AKOS005762823

Database identifiers

CAS: 18599-22-9
PubChem CID: 87721
DTXSID: DTXSID4066389
UNII: T08C3OEQ6E
EC Number: 242-440-8
Nikkaji: J125.041H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 120

Physicochemical properties

Boiling point: 55 °C · 55 °C
Density: 1 · 1,357 g/cm3
vapor pressure: 20.4 kPa · 20.4kPa at 20℃
refractive index: 1.354 · 1.354
Flash point: 55 · 55-57°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 1.622 · 1.622
Water Solubility: 85.34 mg/L · 85.34mg/L at 20℃
BRN: 1856181 · 1856181
InChIKey: GVCWGFZDSIWLMO-UHFFFAOYSA-N
LogP: 2.96 at · 2.96 at 20℃
CAS DataBase Reference: 18599 · 18599-22-9(CAS DataBase Reference)
FDA UNII: 8 C3OEQ6E · T08C3OEQ6E
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.

Danger

H225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H336 (20%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]；H412 (20%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 10 reports by companies.；There are 4 notifications provided by 8 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.