1-(Chloromethyl)-2,4-bis(trifluoromethyl)benzene
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Basic information
- CAS
195136-46-0- Standard SMILES
FC(F)(F)c1ccc(CCl)c(C(F)(F)F)c1- InChIKey
DPKQSESRNWBUFZ-UHFFFAOYSA-N- Molecular formula
- C9H5ClF6
- Average molar mass
- 262.58 g/mol
- Monoisotopic mass
- 261.9983968
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-2,4-bis(trifluoromethyl)benzene
- IUPAC
- 1-(chloromethyl)-2,4-bis(trifluoromethyl)benzene
- English name
- 2,4-BIS(TRIFLUOROMETHYL)BENZYL CHLORIDE
- Molecular formula
- C9H5ClF6
- Molecular weight
- 262.58
Names & synonyms
195136-46-01-(chloromethyl)-2,4-bis(trifluoromethyl)benzeneDTXSID50371151RefChem:226333DTXCID703221852,4-Bis(trifluoromethyl)benzyl chlorideMFCD000835372,4-bis(trifluoromethyl)-1-(chloromethyl)benzeneJRD-04032,4-DI(TRIFLUOROMETHYL)BENZYL CHLORIDESCHEMBL1873922DPKQSESRNWBUFZ-UHFFFAOYSA-N
Show more names
2,4-Bis(trifluoromethyl)benzyl chloride 98%Benzene, 1-(chloromethyl)-2,4-bis(trifluoromethyl)-
CK2022SBB102590AKOS015910383AS-45849SY0617462,4-Bis(trifluoromethyl)benzylchloride98%DB-044886CS-0318347
Database identifiers
- CAS
195136-46-0- PubChem CID
- 2736135
- DTXSID
DTXSID50371151- EC Number
- 670-622-0
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 172.1 · 172.1±35.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
- InChIKey
- DPKQSESRNWBUFZ-UHFFFAOYSA-N
- SMILES
- ClCC(C=C1)=C(C(F)(F)F)C=C1C(F)(F)F
- CAS DataBase Reference
- 195136 · 195136-46-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- wgk
- WGK 3
- ridadr
- 3265
- hs_code
- 2903998090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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