Basic information
- 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 properties
- 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
- 86 °C/40 · 86 °C/40 mmHg (lit.)
- Density
- 1.216 g/mL · 1.216 g/mL at 25 °C (lit.)
- vapor pressure
- 1.9 · 1.9-2.6hPa at 20-25℃
- refractive index
- 20 · n20/D 1.514(lit.)
- Flash point
- 135 °F · 135 °F
- 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
- SMILES
- Fc1ccccc1CCl
- LogP
- 2.87 at · 2.87 at 20℃ and pH7.3
- CAS DataBase Reference
- 345 · 345-35-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1-(chloromethyl)-2-fluoro-(345-35-7)
- EPA Substance Registry System
- 2 · 2-Fluorobenzyl chloride (345-35-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-20/21/22
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- F
- 19 · 19
- Hazard Note
- Corrosive/Lachrymatory
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 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)
Safety & regulation
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
- 29036990
- 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
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