Basic information
- CAS
243139-71-1- Standard SMILES
Fc1cc(F)c(CCl)cc1F- InChIKey
JMXPOOVDUVHJRO-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3
- Average molar mass
- 180.55 g/mol
- Monoisotopic mass
- 179.9953623
Names & identifiers
- Preferred name
- 2,4,5-Trifluorobenzyl Chloride
- IUPAC
- 1-(chloromethyl)-2,4,5-trifluorobenzene
- English name
- 2,4,5-TRIFLUOROBENZYL CHLORIDE
- Molecular formula
- C7H4ClF3
- Molecular weight
- 180.55
Names & synonyms
2,4,5-Trifluorobenzyl chloride243139-71-11-(chloromethyl)-2,4,5-trifluorobenzeneDTXSID00380359RefChem:442782DTXCID40331385671-774-0MFCD00236319Benzene, 1-(chloromethyl)-2,4,5-trifluoro-SCHEMBL7246231-(chloromethyl)-2,4,5-trifluoro-benzeneAKOS006228974
Show more names
CAS:243139-71-1Sitagliptin Impurity 702,4,5-TRIFLUOROBENZYL CHORIDEBenzene, 1-(chloromethyl)-2,4,5-trifluoro- (9CI)1-(Chloromethyl)-2,4,5-trifluorobenzene, alpha-Chloro-2,4,5-trifluorotoluene
AC-9757T28892,4,5-trifluorobenzylchlorideEN300-3306531-Chloromethyl-2,4,5-trifluoro-benzene2,4,5--Trifluorobenzyl Chloridealpha-Chloro-2,4,5-trifluorotolueneYY3PHA6AYT
Database identifiers
- CAS
243139-71-1- PubChem CID
- 2777063
- DTXSID
DTXSID00380359- UNII
- YY3PHA6AYT
- EC Number
- 671-774-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 175 ℃ · 175℃
- Density
- 1 · 1,689 g/cm3
- refractive index
- 1.505 · 1.5050
- Flash point
- 65 °C · 65°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
- InChIKey
- JMXPOOVDUVHJRO-UHFFFAOYSA-N
- SMILES
- C1(CCl)=CC(F)=C(F)C=C1F
- CAS DataBase Reference
- 243139 · 243139-71-1(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H290-H314-H318
- Precautionary statements
- 210 e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501 · P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501
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
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, 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 CategoriesMet. Corr. 1 (16.7%)
Safety data
- ridadr
- 3265
- hs_code
- 2903998090
- risk_code
- 34-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-36
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H227-H290-H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501
Chemistry & industry
Applications
Uses2,4,5-Trifluorobenzyl chloride is an oral dipeptidyl peptidase-4 (DPP-4) inhibitor that decreases in glucagon to improve control of blood sugar used for the treatment of type 1 diabetes, 79% of the dose excreted in the urine.
Uses2,4,5-Trifluorobenzyl chloride is a useful research chemical.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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