Basic information
- CAS
320-50-3- Standard SMILES
FC(F)(F)c1cc(Cl)ccc1Cl- InChIKey
DYBYUWVMLBBEMA-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2F3
- Average molar mass
- 215 g/mol
- Monoisotopic mass
- 213.95639
Names & identifiers
- Preferred name
- Benzene, 1,4-dichloro-2-(trifluoromethyl)-
- IUPAC
- 1,4-dichloro-2-(trifluoromethyl)benzene
- English name
- 2,5-Dichlorobenzotrifluoride
- Molecular formula
- C7H3Cl2F3
- Molecular weight
- 215
Names & synonyms
2,5-Dichlorobenzotrifluoride320-50-31,4-Dichloro-2-(trifluoromethyl)benzeneBenzene, 1,4-dichloro-2-(trifluoromethyl)-EINECS 206-276-0DTXSID2059803NSC 60712RefChem:562325DTXCID2038441Toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-(6CI,7CI,8CI)206-276-02,5-Dichloro-alpha,alpha,alpha-trifluorotoluene
Show more names
2,5-Dichloro-1-(trifluorom5-Dichlorobenzotrifluoride2,5-Dichlorobenzotrifluoride98%2,5-Dichlorobenzotrifluoride 98%2,5-Dichlorobenzotrifluoride >2,5-DICHLORO TRIFLUOROMETHYLBENZENE2,5-Dichloro-α,α,α-trifluorotoluene
MFCD00000608NSC60712SCHEMBL9873522,5-DICHLORO-A,A,A-TRIFLUOROTOLUENESCHEMBL455005SCHEMBL7744861SCHEMBL15063745SCHEMBL29649700
Database identifiers
- CAS
320-50-3- PubChem CID
- 35360
- DTXSID
DTXSID2059803
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 174.82 °C · 174.82°C (rough estimate)
- Density
- 1.483 g/mL · 1.483 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.483(lit.)
- Flash point
- 169 °F · 169 °F
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.49 · 1.49
- BRN
- 1955442 · 1955442
- InChI
- 1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
- InChIKey
- DYBYUWVMLBBEMA-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(Cl)ccc1Cl
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzene, 1,4-dichloro-2-(trifluoromethyl)-
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CZ5553755
- ridadr
- UN 1760 8/PG 2
- hs_code
- 29039990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
Chemistry & industry
Applications
Uses2,5-Dichlorobenzotrifluoride was used as an internal standard in the quantitative analysis of hexafluoropropylene/vinylidene fluoride copolymers by the CW (Continuous Wave)-NMR method.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司
Related reactions
3 records
Compound notes
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