Basic information
- Standard SMILES
O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F- InChIKey
WFNRNCNCXRGUKN-UHFFFAOYSA-N- Molecular formula
- C8H2F4O4
- Average molar mass
- 238.09 g/mol
- Monoisotopic mass
- 237.98892142
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrafluoroterephthalic acid
- IUPAC
- 2,3,5,6-tetrafluoroterephthalic acid
- English name
- Tetrafluoroterephthalic acid
- Molecular formula
- C8H2F4O4
- Molecular weight
- 238.09
Names & synonyms
652-36-82,3,5,6-Tetrafluoroterephthalic acid2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-M6NM6WEY2HNSC-96897EINECS 211-489-7DTXSID402155102,3,5,6-TETRAFLUOROBENZENE-1,4-DIOIC ACIDNSC 96897P-TETRAFLUOROBENZENEDICARBOXYLIC ACIDRefChem:441796
Show more names
DK7482JACS-652-36-8RARECHEM AL BO 0018Tetrafluoroterephthalicacid97%Tetrafluoroterephthalic acid 97%Tetrafluoroterephthalyl chloride
DTXCID70138001211-489-7Tetrafluoroterephthalic acidTetrafluorobenzene-1,4-dicarboxylic acidMFCD000123012,3,5,6-tetrafluorobenzene-1,4-dicarboxylic acidTetrafluoroterephthalic acid, 97%NSC96897
Database identifiers
- CAS
652-36-8- PubChem CID
- 69549
- DTXSID
DTXSID40215510- UNII
- M6NM6WEY2H
- EC Number
- 211-489-7
- Nikkaji
- J205.934G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 275 · 275-277 °C (dec.)(lit.)
- Boiling point
- 337.9 · 337.9±42.0 °C(Predicted)
- Density
- 1.812 · 1.812±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- very faint turbidity in hot Water
- form
- powder to crystal
- pka
- 0.95 · 0.95±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
- InChIKey
- WFNRNCNCXRGUKN-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=C(F)C(F)=C(C(O)=O)C(F)=C1F
- CAS DataBase Reference
- 652 · 652-36-8(CAS DataBase Reference)
- FDA UNII
- 6 NM6WEY2H · M6NM6WEY2H
- NIST Chemistry Reference
- Terephthalic acid, tetrafluoro-(652-36-8)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- CORROSIVE
- HS Code
- 29173990 · 29173990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 42 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29173990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- CORROSIVE
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses2,3,5,6-Tetrafluoroterephthalic Acid is used in the preparation of zinc/nickel/copper imidazolylpyridinone tetrafluoroterephthalate.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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