CAS 652-03-9 3,4,5,6-Tetrafluorophthalic acid (HCID 69544)

Names & identifiers

Preferred name: 3,4,5,6-Tetrafluorophthalic acid
IUPAC: 3,4,5,6-tetrafluorophthalic acid
English name: Tetrafluorophthalic acid
Molecular formula: C8H2F4O4
Molecular weight: 238.09

Names & synonyms

Tetrafluorophthalic acid652-03-93,4,5,6-Tetrafluorophthalic acidEINECS 211-483-4DTXSID10215502RefChem:485674DTXCID70137993211-483-41,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-MFCD00002407tetrafluorobenzene-1,2-dicarboxylic acid3,4,5,6-tetrafluorobenzene-1,2-dicarboxylic acid

Show more names

JACS-652-03-9RARECHEM AL BO 0016TetrafluorophthalicMoxifloxacin Impurity 82Moxifloxacin Impurity 95Tetrafluorophthalicacid98%6-Tetrafluorophthalic acid3,4,5,6-Tetrafluorophthalic

TetrafluorophthalicAcidSCHEMBL336394Tetrafluorophthalic acid, 98%IFLab1_001011SCHEMBL294499853,4,5,6-TETRAFLUORO-1,2-BENZENEDICARBOXYLIC ACIDHMS1414N213,4,5,6-tetrafluoro-phthalic acid

Database identifiers

CAS: 652-03-9
PubChem CID: 69544
DTXSID: DTXSID10215502
EC Number: 211-483-4
Nikkaji: J134.874D

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 280

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 152 · 152-154 °C(lit.)
Boiling point: 345.7 · 345.7±42.0 °C(Predicted)
Density: 1.6239 · 1.6239 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in Methanol
form: powder to crystal
pka: 1.28 · 1.28±0.10(Predicted)
color: White to Light yellow to Light orange
BRN: 2057012 · 2057012
InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C(F)C(F)=C(F)C(F)=C1C(O)=O
CAS DataBase Reference: 652 · 652-03-9(CAS DataBase Reference)
NIST Chemistry Reference: Tetrafluorophthalic acid(652-03-9)
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
Risk Statements: 36 · 36/37/38-37/38-36
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
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 · 4 items

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 48 reports by companies from 7 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: 36/37/38-37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
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

Applications

UsesTetrafluorophthalic Acid, can be used as a starting material in the synthesis of various chemical compounds such as Perfluoroanthracene (P227605), a perfluorinated graded index polymer optical fiber (PFGI-POF) component.