Basic information
- CAS
55502-53-9- Standard SMILES
O=C(Cl)COc1c(F)c(F)c(F)c(F)c1F- InChIKey
WQLJMPAQIWVNGS-UHFFFAOYSA-N- Molecular formula
- C8H2ClF5O2
- Average molar mass
- 260.54 g/mol
- Monoisotopic mass
- 259.9663478
Names & identifiers
- Preferred name
- (Pentafluorophenoxy)acetyl chloride
- IUPAC
- 2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
- English name
- 2,3,4,5,6-Pentafluorophenoxyacetyl chloride
- Molecular formula
- C8H2ClF5O2
- Molecular weight
- 260.55
Names & synonyms
55502-53-9(Pentafluorophenoxy)acetyl chloride2-(Perfluorophenoxy)acetyl chloride2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride8SEH5G2HMLEINECS 259-676-2NSC-97008DTXSID80204084NSC 97008ACETYL CHLORIDE, 2-(2,3,4,5,6-PENTAFLUOROPHENOXY)-RefChem:70194DTXCID80126575
Show more names
D1394ST5409609ZINC01627120perfluorophenoxyacetyl chloridePENTAFLUOROPHENOXYACETYL CHLORIDEPentafluorophenoxyacetyl chloride,97%(Pentafluorophenoxy)acetylchloride99%
259-676-22,3,4,5,6-PENTAFLUOROPHENOXYACETYL CHLORIDEUNII-8SEH5G2HMLSCHEMBL3026303WQLJMPAQIWVNGS-UHFFFAOYSA-N2-(Perfluorophenoxy)acetylchlorideNSC97008MFCD01320685
Database identifiers
- CAS
55502-53-9- PubChem CID
- 97020
- DTXSID
DTXSID80204084- UNII
- 8SEH5G2HML
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 116 · 116-117°C 20mm
- Density
- 1.6038 · 1.6038 (estimate)
- refractive index
- 1.451 · 1.451-1.453
- Flash point
- 116 · 116-117°C/20mm
- form
- solid
- InChI
- 1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
- InChIKey
- WQLJMPAQIWVNGS-UHFFFAOYSA-N
- SMILES
- Fc1c(F)c(F)c(OCC(Cl)=O)c(F)c1F
- CAS DataBase Reference
- 55502 · 55502-53-9(CAS DataBase Reference)
- FDA UNII
- 8 SEH5G2HML · 8SEH5G2HML
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280
- target organs
- Respiratory system
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
Danger
H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (20%)
Safety data
- wgk
- WGK 3
- ridadr
- 3265
- hs_code
- 29189990
- risk_code
- 34-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 36/37/39-3/7-27-26
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314
- Hazard Classifications
Chemistry & industry
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
JACS-郑州杰克斯化工产品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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