2,2-Difluoro-1,3-benzodioxol-4-ol

HCID 11116541CAS 126120-86-3

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cccc2c1OC(F)(F)O2
InChIKey: RZLKNZQTCHZQNT-UHFFFAOYSA-N
Molecular formula: C7H4F2O3
Average molar mass: 174.1 g/mol
Monoisotopic mass: 174.01285043

Names & identifiers

Preferred name: 2,2-Difluoro-1,3-benzodioxol-4-ol
IUPAC: 2,2-difluoro-1,3-benzodioxol-4-ol
English name: 2,2-Difluorobenzo[d][1,3]dioxol-4-ol
Molecular formula: C7H4F2O3
Molecular weight: 174.1

Names & synonyms

126120-86-32,2-difluoro-1,3-benzodioxol-4-olDTXSID1012997662,2-difluoro-1,3-dioxaindan-4-olRefChem:440939DTXCID301729903958-736-12,2-Difluorobenzo[d][1,3]dioxol-4-olMFCD184514222,2-difluoro-2H-1,3-benzodioxol-4-ol1,3-Benzodioxol-4-ol, 2,2-difluoro-SCHEMBL3151886

Show more names

SCHEMBL29437972BFA12086XH0420AKOS006371254AS-37146SY2610244-hydroxy-2,2-difluoro-1,3-benzodioxoleEN300-253255

Database identifiers

CAS: 126120-86-3
PubChem CID: 11116541
DTXSID: DTXSID101299766
EC Number: 958-736-1
Nikkaji: J1.878.331B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

form: liquid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.