Basic information
- CAS
327-75-3- Standard SMILES
FC(F)(F)c1ccc(Br)c(C(F)(F)F)c1- InChIKey
QDEJWLIKRLJYEK-UHFFFAOYSA-N- Molecular formula
- C8H3BrF6
- Average molar mass
- 293 g/mol
- Monoisotopic mass
- 291.93223
Names & identifiers
- Preferred name
- 1-Bromo-2,4-bis(trifluoromethyl)benzene
- IUPAC
- 1-bromo-2,4-bis(trifluoromethyl)benzene
- English name
- 4-Bromo-1,3-bis(trifluoromethyl)benzene
- Molecular formula
- C8H3BrF6
- Molecular weight
- 293
Names & synonyms
1-Bromo-2,4-bis(trifluoromethyl)benzeneBenzene, 1-bromo-2,4-bis(trifluoromethyl)-RefChem:430180642-640-9327-75-32,4-Bis(trifluoromethyl)bromobenzene4-Bromo-1,3-bis(trifluoromethyl)benzene2,4-ditrifluoromethylbromobenzene1,3-bis(trifluoromethyl)-4-bromobenzeneMFCD000749042,4-Bis-trifluoromethylbromobenzeneDTXSID10186369
Show more names
2,4-BIS(TRIFLUOROMETHY2,4-DI(TRIFLUOROMETHYL)BROMOBENZENE2,4-Bis(trifluoromethyl)bromobenzen2,4-bis-trifluoromethyl benzene bromide2,4-Bis(trifluoromethyl)bromobenzene 98%
CK23532,4-bis(trifluoromethyl)-1-bromobenzene1-Bromo-2,4-bis-trifluoromethyl-benzeneAM61478A5853FT-0609948A821405SCHEMBL496276
Database identifiers
- CAS
327-75-3- PubChem CID
- 136164
- DTXSID
DTXSID10186369- EC Number
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 158 °C740 · 158 °C740 mm Hg(lit.)
- Density
- 1.738 g/mL · 1.738 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.437(lit.)
- Flash point
- 157 °F · 157 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.738 · 1.738
- BRN
- 6208648 · 6208648
- InChI
- 1S/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
- InChIKey
- QDEJWLIKRLJYEK-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(Br)c(c1)C(F)(F)F
- CAS DataBase Reference
- 327 · 327-75-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,4-Bis(trifluoromethyl)bromobenzene(327-75-3)
- UNSPSC Code
- 12352100 · 12352100
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzene, 1-bromo-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-37
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319-H335
Chemistry & industry
Applications
Uses2,4-Bis(trifluoromethyl)bromobenzene may be used in chemical synthesis.
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]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
12 records
Compound notes
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