Benzene, 1-(chloromethyl)-2-fluoro-
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Basic information
- CAS
345-35-7- Standard SMILES
Fc1ccccc1CCl- InChIKey
MOBRMRJUKNQBMY-UHFFFAOYSA-N- Molecular formula
- C7H6ClF
- Average molar mass
- 144.57 g/mol
- Monoisotopic mass
- 144.014206
Names & identifiers
- Preferred name
- Benzene, 1-(chloromethyl)-2-fluoro-
- IUPAC
- 1-(chloromethyl)-2-fluorobenzene
- English name
- alpha-Chloro-o-fluorotoluene
- Molecular formula
- C7H6ClF
- Molecular weight
- 144.57
Names & synonyms
2-Fluorobenzyl chloride345-35-7O-FLUOROBENZYL CHLORIDEalpha-Chloro-o-fluorotolueneBenzene, 1-(chloromethyl)-2-fluoro-Toluene, alpha-chloro-o-fluoro-EINECS 206-460-0NSC 88295DTXSID9059838RefChem:562379DTXCID20388631-(Chloromethyl)-2-fluorobenzene
Show more names
JACS-345-35-72-CFCs benzylo-FluorobenzylAKOS BBS-00003855alpha-Chloro-o-fluor2-FLUOR-BENZYLCHLORID2-Fluoro Benzyl ChorideA-CHLORO-O-FLUOROTOLUENE
alpha-Chloro-2-fluorotoluene1-Chloromethyl-2-fluoro-benzeneMFCD000008922-fluorophenylmethyl chlorideToluene, .alpha.-chloro-o-fluoro-NSC-882952-fluorobenzylchloride2-flourobenzyl chloride
Database identifiers
- CAS
345-35-7- PubChem CID
- 9580
- DTXSID
DTXSID9059838- UNII
- N9N8Y68KSF
- EC Number
- 206-460-0
- Nikkaji
- J32I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 36 · 36-38 °C
- Boiling point
- 175 °C · 175 °C
- Density
- 1.22 · 1.22
- vapor pressure
- 1.9 · 1.9-2.6hPa at 20-25℃
- refractive index
- 1.51 · 1.51
- Flash point
- 57 °C · 57 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 0.416 g/l · 0.416g/l insoluble
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.216 · 1.216
- Water Solubility
- 416.4 mg/L · 416.4mg/L(25 ºC)
- Sensitive
- Lachrymatory
- BRN
- 471699 · 471699
- InChI
- 1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChIKey
- MOBRMRJUKNQBMY-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- hs_code
- 2903999090
- risk_code
- 34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesAlpha-chloro-o-fluorotoluene (α-chloro-o-fluorotoluene) is an alkylating reagent used in the synthesis of β-dihydroagarofuran ether analogues with insecticidal activity [1].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
144 records
Compound notes
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