Basic information
- CAS
320-60-5- Standard SMILES
FC(F)(F)c1ccc(Cl)cc1Cl- InChIKey
KALSHRGEFLVFHE-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2F3
- Average molar mass
- 215 g/mol
- Monoisotopic mass
- 213.95639012
Names & identifiers
- Preferred name
- 2,4-Dichlorobenzotrifluoride
- IUPAC
- 2,4-dichloro-1-(trifluoromethyl)benzene
- English name
- 2,4-Dichlorobenzotrifluoride
- Molecular formula
- C7H3Cl2F3
- Molecular weight
- 215
Names & synonyms
2,4-Dichlorobenzotrifluoride2,4-Dichloro-1-(trifluoromethyl)benzene320-60-5Benzene, 2,4-dichloro-1-(trifluoromethyl)-1,3-Dichloro-4-(trifluoromethyl)benzene2,4-Dichloro-alpha,alpha,alpha-trifluorotolueneDTXSID0047959MFCD000005822,4-dichloro-1-trifluoromethyl-benzene18V6ZM0FJTEINECS 206-278-1UNII-18V6ZM0FJT
Show more names
2,4-DCBTF1,3-DICHLORO-4-2,4-DichlorobenzotriSorafenib Impurity 1404-Dichlorobenzotrifluoride2,4-Dichlorbenzotrifluorid2,4-dichloro-trifluoroMethyl2,4-Dichlorobenzotrifluoride98%
2,4-DICHLORO(TRIFLUOROMETHYL)BENZENE1,3-Dichloro-4-(trifluoromethyl)benzene; 2,4-Dichloro(trifluoromethyl)benzene; 2,4-Dichloro-1-(trifluoromethyl)benzene; 2,4-Dichloro-?,?,?-trifluorotoluene; 2,4-Dichloro-?,?,?-trifluorotoluene; 2,4-Dichloro-1-(trifluoromethyl)benzene2,4-dichloro-a,a,a-trifluorotolueneEC 206-278-1SCHEMBL107751SCHEMBL753312Toluene, 2,4-dichloro-alpha,alpha,alpha-trifluoro-CHEMBL3185099
Database identifiers
- CAS
320-60-5- PubChem CID
- 9443
- DTXSID
DTXSID0047959- ChEMBL
CHEMBL3185099- UNII
- 18V6ZM0FJT
- EC Number
- 206-278-1
- Nikkaji
- J31.771C
Properties
Computed structural properties
- XLogP
- 4.2
- 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
Chemical ClassesOther Classes -> Halogenated Monoaromatics
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure1.11 [mmHg]
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -26 °C · -26°C
- Boiling point
- 117 · 117-118 °C (lit.)
- Density
- 1.484 g/mL · 1.484 g/mL at 25 °C (lit.)
- vapor pressure
- 1.48 hPa · 1.48hPa at 25℃
- refractive index
- 20 · n20/D 1.481(lit.)
- Flash point
- 162 °F · 162 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- Liquid
- Specific Gravity
- 1.484 · 1.484
- color
- Clear colorless
- Water Solubility
- 8.67 mg/L · 8.67mg/L at 25℃
- BRN
- 2098743 · 2098743
- InChI
- 1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
- InChIKey
- KALSHRGEFLVFHE-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(Cl)cc1Cl
- LogP
- 4.24 · 4.24
- CAS DataBase Reference
- 320 · 320-60-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 18 V6ZM0FJT · 18V6ZM0FJT
- NIST Chemistry Reference
- 2 · Benzene, 2,4-dichloro-1-(trifluoromethyl)-(320-60-5)
- EPA Substance Registry System
- 2 · 2,4-Dichlorobenzotrifluoride (320-60-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H413
- Precautionary statements
- 273 · P273-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 5566877 · CZ5566877
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 Eye · Aquatic Chronic 4Eye Dam. 1Skin Corr. 1B
- REACH Registrations
- Inactive
- 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
GHS classification
GHS Classification
Danger
H314 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 2,4-dichloro-1-(trifluoromethyl)-
Status: Cease Manufacture Update: 29-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6737
Hazards Summary
Causes somnolence, tremor, and dyspnea in oral lethal-dose studies of rats; Causes dermatitis in dermal lethal-dose studies of rabbits (lethal-dose > 10,000 mg/kg); [RTECS] An irritant; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (97.9%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CZ5566877
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29039990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H413
- 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
- Inactive
- Hazard Classifications
- Aquatic Chronic 4Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P273-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [ECHA REACH Registrations]
General Manufacturing InformationBenzene, 2,4-dichloro-1-(trifluoromethyl)-: ACTIVE
Applications
Uses2,4-Dichlorobenzotrifluoride (2,4-Dichloro-α,α,α-trifluorotoluene ) was one of the compounds present in Niagara River fish identified by gas-liquid chromatographic-mass spectrometry.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
4 records
Compound notes
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