Basic information
- CAS
387-45-1- Standard SMILES
O=Cc1c(F)cccc1Cl- InChIKey
OACPOWYLLGHGCR-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO
- Average molar mass
- 158.56 g/mol
- Monoisotopic mass
- 157.99347065
Names & identifiers
- Preferred name
- 2-Chloro-6-fluorobenzaldehyde
- IUPAC
- 2-chloro-6-fluorobenzaldehyde
- English name
- 2-Chloro-6-fluorobenzaldehyde
- Molecular formula
- C7H4ClFO
- Molecular weight
- 158.56
Names & synonyms
2-Chloro-6-fluorobenzaldehydeBenzaldehyde, 2-chloro-6-fluoro-UNII-51YJ9BW8W72-fluoro-6-chlorobenzaldehydeEINECS 206-860-551YJ9BW8W7DTXSID4022028RefChem:86331DTXCID002028206-860-5OACPOWYLLGHGCR-UHFFFAOYSA-N387-45-1
Show more names
2-FLUORO-6-CHLORO BENZALDEHYDEoro-6-fLAKOS BBS-000031592-Chloro-6-fluorobenOTAVA-BB BB7018801953LABOTEST-BB LT00942032Chloro-6-fluorobenzaldeh2-Chlor-6-fluorbenzaldehydChloro-6-fluorobenzaldehyde2-Chloro-6 Florobenzaldehyde
MFCD000033062-chloro-6-fluoro-benzaldehyde2chloro-6-fluorobenzaldehyde2-Chloro-6-fluorobenzaldehyde, 95%AKOS000118947Z1044729042-Fluoro-6-chlorobenzaldehyde;6-CHLORO-2-FLUOROBENZALDEHYDE
Database identifiers
- CAS
387-45-1- PubChem CID
- 67847
- DTXSID
DTXSID4022028- UNII
- 51YJ9BW8W7
- EC Number
- 206-860-5
- Nikkaji
- J213.615E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 32 · 32-35 °C(lit.)
- Boiling point
- 92 °C · 92 °C (10 mmHg)
- Density
- 1.331 · 1.3310 (estimate)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Crystalline Solid
- color
- White to yellow
- Water Solubility
- Insoluble
- Sensitive
- Air Sensitive
- BRN
- 2245530 · 2245530
- InChI
- InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChIKey
- OACPOWYLLGHGCR-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(F)C=CC=C1Cl
- CAS DataBase Reference
- 387 · 387-45-1(CAS DataBase Reference)
- FDA UNII
- 51 YJ9BW8W7 · 51YJ9BW8W7
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.1%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 07-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33837
Hazard Classes and CategoriesSkin Irrit. 2 (96.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2-chloro-6-fluoro-: ACTIVE
Applications
Uses2-Chloro-6-fluorobenzaldehyde was used in the synthesis of novel copolymers of methyl 2-cyano-3-dihalophenyl-2-propenoates and styrene.
General Description2-Chloro-6-fluorobenzaldehyde undergoes piperidine catalyzed Knoevenagel condensation reaction with methyl cyanoacetate to yield methyl 2-cyano-3-dihalophenyl-2-propenoate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
103 records
Compound notes
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