CAS 32085-88-4 3,5-Difluorobenzaldehyde (HCID 588160)

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Basic information

CAS: 32085-88-4
Standard SMILES: O=Cc1cc(F)cc(F)c1
InChIKey: ASOFZHSTJHGQDT-UHFFFAOYSA-N
Molecular formula: C7H4F2O
Average molar mass: 142.1 g/mol
Monoisotopic mass: 142.02302119

Names & identifiers

Preferred name: 3,5-Difluorobenzaldehyde
IUPAC: 3,5-difluorobenzaldehyde
English name: 3,5-Difluorobenzaldehyde
Molecular formula: C7H4F2O
Molecular weight: 142.1

Names & synonyms

3,5-Difluorobenzaldehyde32085-88-4ASOFZHSTJHGQDT-UHFFFAOYSA-DTXSID30343199RefChem:91510DTXCID90294279608-701-9ASOFZHSTJHGQDT-UHFFFAOYSA-NInChI=1/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4HMFCD00010329BENZALDEHYDE, 3,5-DIFLUORO-3,5-difluoro-benzaldehyde

Show more names

3,5-Difluorobenzalde3,5-fluorobenzaldehyde3,5-Difluorobenzaldehyde>1,3-Difluoro-5-formylbenzene3,5-Difluorobenzaldehyde,97%3,5-Difluorobenzaldehyde 98%3,5-Difluorobenzaldehyde, 98+%1,2-DiFluorobenzenebenzaldehyde

3,5difluorobenzaldehyde3,5-diflourobenzaldehyde3, 5-difluorobenzaldehydeSCHEMBL96268SCHEMBL96269(3,5-difluorophenyl)methanoneSCHEMBL15067670SCHEMBL15067837

Database identifiers

CAS: 32085-88-4
PubChem CID: 588160
DTXSID: DTXSID30343199
EC Number: 608-701-9
Nikkaji: J1.455.012G

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 117

Physicochemical properties

Melting point: 17 °C · 17°C
Boiling point: 61 · 61-63°C 43mm
Density: 1.296 g/mL · 1.296 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.493(lit.)
Flash point: 133 °F · 133 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid After Melting
color: Clear light green
Sensitive: Air Sensitive
BRN: 2573392 · 2573392
InChI: InChI=1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey: ASOFZHSTJHGQDT-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=CC(F)=C1
CAS DataBase Reference: 32085 · 32085-88-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (88%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.