1-Chloro-2-fluorobenzene
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Basic information
- CAS
348-51-6- Standard SMILES
Fc1ccccc1Cl- InChIKey
ZCJAYDKWZAWMPR-UHFFFAOYSA-N- Molecular formula
- C6H4ClF
- Average molar mass
- 130.55 g/mol
- Monoisotopic mass
- 129.99855603
Names & identifiers
- Preferred name
- 1-Chloro-2-fluorobenzene
- IUPAC
- 1-chloro-2-fluorobenzene
- English name
- 2-Chlorofluorobenzene
- Molecular formula
- C6H4ClF
- Molecular weight
- 130.55
Names & synonyms
1-CHLORO-2-FLUOROBENZENE348-51-62-Chlorofluorobenzeneo-ChlorofluorobenzeneBenzene, 1-chloro-2-fluoro-o-Fluorochlorobenzene1-Fluoro-2-chlorobenzene1-chloro-2-fluoro-benzeneCHLOROFLUOROBENZENEMFCD00000533NSC-10270Benzene, chlorofluoro-
Show more names
1-Chloro-2-flu2-Chlorofluorobenzeno-ChorofluorobenzeneO-Chloroflurobenzene1-Chloro-2-flurobenzene
2-FLUOROCHLOROBENZENENSC 10270EINECS 206-476-8ortho-chlorofluorobenzeneJUQ2V3V2AASCHEMBL19921SCHEMBL68590SCHEMBL68591
Database identifiers
- CAS
348-51-6、625-98-9- PubChem CID
- 9583
- DTXSID
DTXSID8059841- UNII
- JUQ2V3V2AA
- EC Number
- 206-476-8
- Nikkaji
- J95.439J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure8.19 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 43 · −43-−42 °C(lit.)
- Boiling point
- 137 · 137-138 °C(lit.)
- Density
- 1.244 g/mL · 1.244 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.501(lit.)
- Flash point
- 88 °F · 88 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
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
H226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Hazards SummaryA skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See o-Dichlorobenzene.
Hazard Classes and CategoriesFlam. Liq. 3 (94.2%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29049090
- risk_code
- 10-36/38-36/37/38-39/23/24/25-23/24/25-11
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-fluoro-: ACTIVE
Applications
Uses1-Chloro-2-fluorobenzene was used in the 9F NMR analysis of conversion of 3,4-fluoro- and 3-chloro-4-fluoroaniline by Rhodococcus sp. strain. It was used in microwave-assisted traceless rapid synthesis of benzimidazolones on Ameba resin.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
28 records
Compound notes
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