Benzene, (1,1,2,2-tetrafluoroethoxy)-

HCID 67692

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Basic information

CAS: 350-57-2
Standard SMILES: FC(F)C(F)(F)Oc1ccccc1
InChIKey: GRDIVJPQARIBNZ-UHFFFAOYSA-N
Molecular formula: C8H6F4O
Average molar mass: 194.13 g/mol
Monoisotopic mass: 194.03547746

Names & identifiers

Preferred name: Benzene, (1,1,2,2-tetrafluoroethoxy)-
IUPAC: 1,1,2,2-tetrafluoroethoxybenzene
English name: (1,1,2,2-Tetrafluoroethoxy)benzene
Molecular formula: C8H6F4O
Molecular weight: 194.13

Names & synonyms

(1,1,2,2-Tetrafluoroethoxy)benzene350-57-2Fentalene-14Benzene, (1,1,2,2-tetrafluoroethoxy)-EINECS 206-505-4BRN 2255899DTXSID001885343-06-00-00598 (Beilstein Handbook Reference)RefChem:562058DTXCID60111025206-505-41,1,2,2-tetrafluoroethoxybenzene

Show more names

TETRAFLUOROETHOXYBENZENE 98%1,1,2,2-Tetrafluorethocybenzol(1,1,2,2-tetrafluoroethoxy)-benzen(1,1,2,2-Tetrafluoroethoxy)benzene98%alpha,alpha,beta,beta-Tetrafluorophenetole 98%

MFCD00042102alpha,alpha,beta,beta-Tetrafluorophenetole1,1,2,2-tetrafluoro-1-phenoxyethane(Tetrafluoroethoxy)benzeneTETRAFLUOROETHOXYBENZENEBenzene, (tetrafluoroethoxy)-SCHEMBL194052SCHEMBL687497

Database identifiers

CAS: 350-57-2
PubChem CID: 67692
DTXSID: DTXSID00188534
UNII: W5Z4B97LN3
EC Number: 206-505-4
Nikkaji: J193.818E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 152 · 152-153 °C (lit.)
Density: 1.275 g/mL · 1.275 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4200(lit.)
Flash point: 115 °F · 115 °F
form: liquid
Specific Gravity: 1.3 · 1.30
color: Clear
InChI: 1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H
InChIKey: GRDIVJPQARIBNZ-UHFFFAOYSA-N
SMILES: FC(F)C(F)(F)Oc1ccccc1
CAS DataBase Reference: 350 · 350-57-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
rtecs: DC0340000
ridadr: UN 1993 3/PG 3
hs_code: 29093090
Toxicity: mouse,LD50,oral,3600mg/kg (3600mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,T
hazard_note: Toxic
safety_code: 26-36
hazard_class: 3

Chemistry & industry

Suppliers22 total

常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

1 records

New reaction record

HRID 469136As reactantuspto-grants-2014_01

Compound notes

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