2,2-Difluoro-5-formylbenzodioxole (HCID 2736973)

Names & identifiers

Preferred name: 2,2-Difluoro-5-formylbenzodioxole
IUPAC: 2,2-difluoro-1,3-benzodioxole-5-carbaldehyde
English name: 2,2-Difluorobenzodioxole-5-carboxaldehyde
Molecular formula: C8H4F2O3
Molecular weight: 186.11

Names & synonyms

2,2-Difluoro-5-formylbenzodioxoleRefChem:441089627-939-4656-42-82,2-Difluorobenzo[d][1,3]dioxole-5-carbaldehyde2,2-Difluorobenzodioxole-5-carboxaldehyde2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde2,2-difluoro-1,3-benzodioxole-5-carbaldehyde2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehydeMFCD00792420SCHEMBL497425DTXSID50371737

Show more names

5-FORMYL-2,2-DIFLUOROBENZODIOXOLE2,2-Difluoro-5-formylbenzodioxole 97%2,2-DIFLUORO-5-FORMYL-1,3-BENZODIOXOLE2.2-Difluorobenzodioxole-5-carbaxaldehyde2,2-Difluorobenzodioxole-5-carboxaldehyde98%2,2-Difluorobenzodioxole-5-carboxaldehyde 98%

2,2-difluoro-5-formylbenzodioxolane2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBALDEHYDEPB17187SY0093822,2-difluorobenzo[1,3]dioxol-5-carbaldehydeEN300-1156171,3-Benzodioxole-5-carboxaldehyde, 2,2-difluoro-1,3-Benzodioxole-5-carboxaldehyde,2,2-difluoro-

Database identifiers

CAS: 656-42-8
PubChem CID: 2736973
DTXSID: DTXSID50371737
EC Number: 627-939-4
Nikkaji: J2.920.904I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 219

Physicochemical properties

Boiling point: 202 · 202-203 °C(lit.)
Density: 1.422 g/mL · 1.422 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5000(lit.)
Flash point: 205 °F · 205 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
color: Clear, colourless
Water Solubility: Sparingly soluble in water (0.31 g/L at 25°C).
Sensitive: Air Sensitive
BRN: 1369253 · 1369253
InChI: 1S/C8H4F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-4H
InChIKey: GGERGLKEDUUSAP-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc2OC(F)(F)Oc2c1
CAS DataBase Reference: 656 · 656-42-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2932990090 · 2932990090
Storage Class: 10 · 10 - Combustible liquids
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.