Benzene, 1-fluoro-2-(trichloromethyl)-
Basic information
- CAS
488-98-2- Standard SMILES
Fc1ccccc1C(Cl)(Cl)Cl- InChIKey
JYLVSNNSOWDQQX-UHFFFAOYSA-N- Molecular formula
- C7H4Cl3F
- Average molar mass
- 213.5 g/mol
- Monoisotopic mass
- 211.93626139
Names & identifiers
- Preferred name
- Benzene, 1-fluoro-2-(trichloromethyl)-
- IUPAC
- 1-fluoro-2-(trichloromethyl)benzene
- English name
- 2-Fluorobenzotrichloride
- Molecular formula
- C7H4Cl3F
- Molecular weight
- 213.46
Names & synonyms
488-98-21-Fluoro-2-(trichloromethyl)benzeneBenzene, 1-fluoro-2-(trichloromethyl)-EINECS 207-692-5EC 207-692-5RefChem:5624832-Fluorobenzotrichlorideo-FluorobenzotrichlorideMFCD00000787fluoroben-zotrichloride2-Fluoro-alpha,alpha,alpha-trichlorotolueneo-Fluoro-alpha,alpha,alpha-trichlorotoluene
Show more names
fluorobenzotrichloride2-fluorobenzatrichloride2-FLUORO-TRICHLOROTOLUENE2-Fluorobenzotrichloride99%2-Fluorobenzotrichloride>2-Fluorobenzotrichloride 99%2-fluorotrichloromethylbenzene2-fluoro-à,à,à-trichlorotoluene
2-Fluoro benzotrichloride7VQ6U38NH7SCHEMBL3031821SCHEMBL5720357DTXSID9060075SCHEMBL302118282-fluoro-1-(trichloromethyl)benzeneSBB094840
Database identifiers
- CAS
488-98-2- PubChem CID
- 68104
- DTXSID
DTXSID9060075- UNII
- 7VQ6U38NH7
- EC Number
- 207-692-5
- Nikkaji
- J182.236E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 75 °C5 · 75 °C5 mm Hg(lit.)
- Density
- 1.453 g/mL · 1.453 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 2502576 · 2502576
- InChI
- InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
- InChIKey
- JYLVSNNSOWDQQX-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=CC=C1C(Cl)(Cl)Cl
- LogP
- 3.58 · 3.58
- CAS DataBase Reference
- 488 · 488-98-2(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Fluorobenzotrichloride (488-98-2)
- Symbol(GHS)
- 7 · GHS07
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
Regulatory InformationStatus: Cease Manufacture Update: 10-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6658
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H315-H319
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-fluoro-2-(trichloromethyl)-: INACTIVE
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Related reactions
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Compound notes
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