2-Chloro-6-fluorobenzaldehyde
Properties
- Molecular formula
- C7H4ClFO
- Molar mass
- 158.56 g/mol
- Exact mass
- 157.9935 Da
- Melting point
- 38.5 °C
- Boiling point
- 104–105 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation96.1% of notifiers
- H319 Causes serious eye irritation96.1% of notifiers
- H335 May cause respiratory irritation92.2% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
387-45-1SMILES
O=Cc1c(F)cccc1ClInChIKey
OACPOWYLLGHGCR-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzaldehyde, 2-chloro-6-fluoro-
- 2-Fluoro-6-chlorobenzaldehyde
- 6-Chloro-2-fluorobenzaldehyde
Work with 2-Chloro-6-fluorobenzaldehyde
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,6-Difluorobenzaldehyde437-81-072 % similar
2,6-Dichlorobenzaldehyde83-38-568 % similar
2-Chloro-3,6-difluorobenzaldehyde261762-39-462 % similar
3-Chloro-2,6-difluorobenzaldehyde190011-87-161 % similar
2,4-Dichloro-6-fluorobenzaldehyde681435-09-661 % similar
6-Chloro-2,3-difluorobenzaldehyde797791-33-461 % similar
2-Bromo-6-fluorobenzaldehyde360575-28-660 % similar
6-Fluorosalicylaldehyde38226-10-760 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.