6-Chloro-2-fluoro-3-methoxybenzaldehyde
Basic information
- CAS
112641-64-2- Standard SMILES
COc1ccc(Cl)c(C=O)c1F- InChIKey
OADUJQWBRPRPQX-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO2
- Average molar mass
- 188.58 g/mol
- Monoisotopic mass
- 188.0040353
Names & identifiers
- Preferred name
- 6-Chloro-2-fluoro-3-methoxybenzaldehyde
- IUPAC
- 6-chloro-2-fluoro-3-methoxybenzaldehyde
- English name
- 6-Chloro-2-fluoro-3-methoxybenzaldehyde
- Molecular formula
- C8H6ClFO2
- Molecular weight
- 188.58
Names & synonyms
6-Chloro-2-fluoro-3-methoxybenzaldehyde112641-64-2DTXSID80393841RefChem:104382DTXCID70344701802-553-0MFCD041159466-chloro-2-fluoro-3-methoxy-benzaldehydeSCHEMBL1764794OADUJQWBRPRPQX-UHFFFAOYSA-NSBB090841AKOS015956766
Show more names
Benzaldehyde, 6-chloro-2-fluoro-3-methoxy-6-Chloro-2-fluoro-3-methoxybenzaldehyde,97%
AS-36233SY102503DB-359380CS-01880166-Chloro-2-fluoro-3-methoxybenzaldehyde, 97%EN300-7400556F302171Z1255458151
Database identifiers
- CAS
112641-64-2- PubChem CID
- 3580261
- DTXSID
DTXSID80393841- EC Number
- 802-553-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 95 · 95-100℃
- Boiling point
- 264.9 · 264.9±35.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C8H6ClFO2/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-4H,1H3
- InChIKey
- OADUJQWBRPRPQX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(Cl)C=CC(OC)=C1F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2913000090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses6-Chloro-2-fluoro-3-methoxybenzaldehyde is a useful research chemical.
UsesUsed as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings.
Related reactions
2 records
Compound notes
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