Basic information
- CAS
401-84-3- Standard SMILES
FC(F)(F)c1cc(Br)cc(Br)c1- InChIKey
OFNXSUANJLHGQN-UHFFFAOYSA-N- Molecular formula
- C7H3Br2F3
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 301.85535896
Names & identifiers
- Preferred name
- 1,3-Dibromo-5-(trifluoromethyl)benzene
- IUPAC
- 1,3-dibromo-5-(trifluoromethyl)benzene
- English name
- 3,5-Dibromobenzotrifluoride
- Molecular formula
- C7H3Br2F3
- Molecular weight
- 303.9
Names & synonyms
1,3-dibromo-5-(trifluoromethyl)benzene401-84-3DTXSID00366279RefChem:72595DTXCID10317318674-736-13,5-DibromobenzotrifluorideMFCD00526219HMS1787J22AKOS001026740CS-W016753PS-7116
Show more names
1,3-Dibromobenzotrifluoride3,5-Dibromobenzotrifluoride>3,5-Dibromobenzotrifluoride 98%Benzene,1,3-dibroMo-5-(trifluoroMethyl)-1,3-Dibromo-5-(trifluoromethyl)benzene, 3,5-Dibromo-alpha,alpha,alpha-trifluorotoluene
SY025104F14535Benzene, 1,3-dibromo-5-(trifluoromethyl)-AMY40553FT-0687067A824964SCHEMBL147633SCHEMBL698043
Database identifiers
- CAS
401-84-3- PubChem CID
- 2063489
- DTXSID
DTXSID00366279- EC Number
- 674-736-1
- Nikkaji
- J3.773.717H
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
- 147
Physicochemical properties
- Melting point
- 47.4 · 47.4-48.0 °C
- Boiling point
- 117 · 117-118 °C(Press: 38 Torr)
- Density
- 1.956 · 1.956±0.06 g/cm3(Predicted)
- refractive index
- 1.518 to · 1.5180 to 1.5220
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Pale yellow
- Water Solubility
- Slightly soluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2903998090 · 2903998090
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 4 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,5-Dibromobenzotrifluoride used as a intermediate in organic synthesis and pharmaceuticals.
Upstream & downstream products
Downstream products
Suppliers100 total
湖北鑫立恒化工有限公司13164644252
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Related reactions
4 records
Compound notes
Loading…