CAS 375-16-6 Heptafluorobutyryl Chloride (HCID 67810)

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Basic information

CAS: 375-16-6
Standard SMILES: O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: WFELVFKXQJYPSL-UHFFFAOYSA-N
Molecular formula: C4ClF7O
Average molar mass: 232.48 g/mol
Monoisotopic mass: 231.9525894

Names & identifiers

Preferred name: Heptafluorobutyryl Chloride
IUPAC: 2,2,3,3,4,4,4-heptafluorobutanoyl chloride
English name: Heptafluorobutyryl chloride
Molecular formula: C4ClF7O
Molecular weight: 232.48

Names & synonyms

Heptafluorobutyryl chloridePerfluorobutyryl chlorideButanoyl chloride, heptafluoro-EINECS 206-785-8DTXSID9059915Butanoyl chloride, 2,2,3,3,4,4,4-heptafluoro-RefChem:145635DTXCID6039342206-785-8WFELVFKXQJYPSL-UHFFFAOYSA-N375-16-6heptafluorobutanoyl chloride

Show more names

heptafluoro-butanoylchlorid[for Heptafluorobutyration]Butanoylchloride,heptafluoro-Perfluorobutyryl chloride 98%Heptafluorobutyrylchloride98%HEPTAFLUORO-N-BUTYRYL CHLORIDEHeptafluorobutyrylchloride,97%

2,2,3,3,4,4,4-Heptafluorobutanoyl chlorideHeptafluorobutyrylchlorideMFCD00000707heptafluorobutyric acid chlorideCF3CF2CF2C(O)ClSCHEMBL428869Perfluorobutyryl chloride, 98%SBB051063

Database identifiers

CAS: 375-16-6
PubChem CID: 67810
DTXSID: DTXSID9059915
EC Number: 206-785-8
Nikkaji: J105.975K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 219

Physicochemical properties

Melting point: 59 · 59-61 °C(Solv: benzene (71-43-2))
Boiling point: 39 °C · 39 °C
Density: 1.556 g/mL · 1.556 g/mL at 20 °C
vapor pressure: 7.22 psi · 7.22 psi ( 20 °C)
refractive index: 1.286 · 1.286-1.294
Flash point: 38 · 38-39°C
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
Specific Gravity: 1.556 · 1.556
Water Solubility: decomposes
Sensitive: Lachrymatory
BRN: 1790269 · 1790269
InChI: 1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey: WFELVFKXQJYPSL-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(Cl)=O

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.