2,2-Difluoro-1,3-dioxaindan-4-amine

HCID 2736891

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Basic information

CAS: 106876-54-4
Standard SMILES: Nc1cccc2c1OC(F)(F)O2
InChIKey: RXIKYXZKSIARLN-UHFFFAOYSA-N
Molecular formula: C7H5F2NO2
Average molar mass: 173.12 g/mol
Monoisotopic mass: 173.02883484

Names & identifiers

Preferred name: 2,2-Difluoro-1,3-dioxaindan-4-amine
IUPAC: 2,2-difluoro-1,3-benzodioxol-4-amine
English name: 4-Amino-2,2-difluoro-1,3-benzodioxole
Molecular formula: C7H5F2NO2
Molecular weight: 173.12

Names & synonyms

2,2-difluoro-1,3-dioxaindan-4-amineRefChem:440942641-149-74-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE106876-54-42,2-difluoro-1,3-benzodioxol-4-amineMFCD007924162,2-difluorobenzo[d][1,3]dioxol-4-amine2,3-(Difluoromethylenedioxy)anilineDTXSID603716822,2-DIFLUORO-4-AMINO-1,3-BENZODIOXOLEAKOS006229603

Show more names

2,2-DIFLUORO-4-AMINOBENZODIOXOLE1,3-Benzodioxol-4-aMine, 2,2-difluoro-2,2-difluoro-1,3-benzodioxol-4-ylamine4-Amino-2,2-difluoro-1,3-benzodioxole98%

CS-W017560DS-120454-Amino-2,2-difluoro-benzo(1.3)dioxole2,2-DIFLUORO-2H-1,3-BENZODIOXOL-4-AMINE4-AMINO-2,2-DIFLUOROBENZODIOXOLEFT-06092322,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YLAMINESCHEMBL334653

Database identifiers

CAS: 106876-54-4
PubChem CID: 2736891
DTXSID: DTXSID60371682
EC Number: 641-149-7
Nikkaji: J1.878.335E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Boiling point: 201 · 201.0±40.0 °C(Predicted)
Density: 1.51 · 1.51±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.26 · 3.26±0.40(Predicted)
Appearance: Colorless to light yellow Liquid
Water Solubility: Not miscible or difficult to mix in water.
CAS DataBase Reference: 106876 · 106876-54-4(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312-H315-H319-H332
Precautionary statements: 261 · P261-P280-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: T
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2810 · 2810
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.