Basic information
- CAS
76-21-1- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
RARQGXBOCXOJPM-UHFFFAOYSA-N- Molecular formula
- CF2HC7F14COOH
- Average molar mass
- 446.08 g/mol
- Monoisotopic mass
- 445.9799299
Overview
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid is a hexadecafluorononanoic acid.
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
- English name
- 9H-Hexadecafluorononanoic acid
- Molecular formula
- C9H2F16O2
- Molecular weight
- 446.09
Names & synonyms
76-21-12,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acidHexadecafluorononanoic acidHexadecafluoro-nonanoic acid9-H-Hexadekafluornonansaeureomega-H-Hexadekafluornonansaeureperfluornonanoic acidD634UW8QCQNONANOIC ACID, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-HEXADECAFLUORO-CHEBI:38399RefChem:785936CHEBI:38398
Show more names
9H PFNADAIKIN C-5800hexadecafluorononanoicacidhexadecafluoro-nonanoicacid9H-Perfluorononanoicacid97%9-HEXADECAFLUORONONANOIC ACID9H-Perfluorononanoic acid 97%
DTXCID501765268DTXSID801335494200-944-59H-HEXADECAFLUORONONANOIC ACID9h-perfluorononanoic acid9-H-Hexadecafluorononanoic acidMFCD000547019-H-Perfluorononanoic acid
Database identifiers
- CAS
76-21-1
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> H-PFcarboxylic acids (PFCA)
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 123 °C · 123 °C
- Density
- 1.718 · 1.718±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 0.52 · 0.52±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)
- InChIKey
- RARQGXBOCXOJPM-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
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
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- ridadr
- 3261
- hs_code
- 2915907098
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
- Hazard statements
- H302-H314
- Precautionary statements
- P310-P260-P280
Chemistry & industry
Uses & manufacturing
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> H-PFcarboxylic acids (PFCA)
Applications
Uses9H-Hexadecafluorononanoic Acid can be used to remove fluorine-containing compound from wastewater using adsorbent.
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
武汉丰泰威远科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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