1,3-Dichloro-5-(trifluoromethyl)benzene
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Basic information
- CAS
54773-20-5- Standard SMILES
FC(F)(F)c1cc(Cl)cc(Cl)c1- InChIKey
PCMPDUPKYRRIIP-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2F3
- Average molar mass
- 215 g/mol
- Monoisotopic mass
- 213.95639
Names & identifiers
- Preferred name
- 1,3-Dichloro-5-(trifluoromethyl)benzene
- IUPAC
- 1,3-dichloro-5-(trifluoromethyl)benzene
- English name
- 3,5-Dichlorobenzotrifluoride, 98
- Molecular formula
- C7H3Cl2F3
- Molecular weight
- 215
Names & synonyms
54773-20-51,3-Dichloro-5-(trifluoromethyl)benzeneEINECS 259-337-9DTXSID00203236RefChem:72624DTXCID00125727259-337-93,5-DichlorobenzotrifluorideC7H3Cl2F3MFCD002039293,5-DICHLOROBENZOTRIFLUORIDE, 981,5-dichloro-3-(trifluoromethyl)benzene
Show more names
3,5-Dichlorotrifluoromethylbenzene3,5-Dichloro-1-(trifluoromethyl)benzene1-(Trifluoromethyl)-3,5-dichlorobenzene1,3-Dichloro-5-(trifluoromethyl)benzene, 3,5-Dichloro-alpha,alpha,alpha-trifluorotoluene
Benzene, 1,3-dichloro-5-(trifluoromethyl)-SCHEMBL147478SCHEMBL321756SCHEMBL697820SBB016983AKOS015890255AS-19455DA-04980
Database identifiers
- CAS
54773-20-5- PubChem CID
- 35361
- DTXSID
DTXSID00203236- EC Number
- 259-337-9
- Nikkaji
- J31.772A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- -13 °C · -13 °C
- Boiling point
- 173 °C · 173 °C
- Density
- 1.47 · 1.47
- refractive index
- 1 · 1,471-1,473
- Flash point
- 65 ℃ · 65℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- Specific Gravity
- 1.478 · 1.478
- color
- Clear colorless to slightly yellow
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314-H318
- Precautionary statements
- 201 · P201-P261-P280-P310-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-34
- Safety Statements
- 26 · 26-36-45-36/37/39
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 1760
- hs_code
- 29039990
- risk_code
- 36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- safety_code
- 26-36-45-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Hazard statements
- H225-H314-H318
- Precautionary statements
- P201-P261-P280-P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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