Octafluoroadipic acid

HCID 67640CAS 336-08-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChIKey
AXRSOGFYDSXLQX-UHFFFAOYSA-N
Molecular formula
OHC(O)C4F8COOH
Average molar mass
290.06 g/mol
Monoisotopic mass
289.9825343

Names & identifiers

Preferred name
Octafluoroadipic acid
IUPAC
2,2,3,3,4,4,5,5-octafluorohexanedioic acid
English name
Octafluoroadipic acid
Molecular formula
C6H2F8O4
Molecular weight
290.06

Names & synonyms

Octafluoroadipic acid336-08-3Perfluoroadipic acid2,2,3,3,4,4,5,5-Octafluorohexanedioic acidHexanedioic acid, octafluoro-EINECS 206-407-1Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-AI3-19372RefChem:855791Hexanedioic acid, octafluoroHexanedioic acid, 2,2,3,3,4,4,5,5octafluoro206-407-1
Show more names
RARECHEM AL BO 0766Octafluoroadipicacid97%OctafluoroadipicAcid>Perfluoroadipic acid 97%OCTAFLUOROADIPIC ACID 98%octafluoro-hexanedioicaci
Octafluorohexanedioic acidPerfluorohexanedioic AciddiPFHxANCIStruc2_001295MFCD00066405DTXSID4059833HPFLDCA n=4Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-

Database identifiers

CAS
336-08-3
PubChem CID
67640
DTXSID
DTXSID4059833
ChEMBL
CHEMBL1741942
EC Number
206-407-1
Nikkaji
J20.400E

Properties

Computed structural properties

XLogP
2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
5
Heavy atoms
18

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids
PFAS · 6 items

PFAS -> Perfluorocarboxylic acids

PFAS -> non-polymer

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physical DescriptionSolid; [SynQuest Laboratories MSDS]
Collision Cross Section130.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Physicochemical properties

Melting point
132 · 132-134°C
Boiling point
274.4 · 274.4±35.0 °C(Predicted)
Density
1.806 · 1.806±0.06 g/cm3(Predicted)
Water Solubility
almost transparency in Water
form
powder to crystal
pka
0.22 · 0.22±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [SynQuest Laboratories MSDS] See Perfluorobutyric acid.
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

tsca
TSCA listed
rtecs
MO1925000
ridadr
3261
hs_code
29171900
risk_code
34
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Uses · 2 items

• Top antireflective coating in lithography [Ref: CAS2019 (JP2009145658)]

non-polymer PFAS -> Semiconductor Industry -> Anti-reflective coating

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-: ACTIVE

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

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