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Basic information
- CAS
237761-77-2- Standard SMILES
FC(F)(F)c1ccc(Cl)c(CBr)c1- InChIKey
BWOOBQYXRVOJSZ-UHFFFAOYSA-N- Molecular formula
- C8H5BrClF3
- Average molar mass
- 273.48 g/mol
- Monoisotopic mass
- 271.9215246
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene
- IUPAC
- 2-(bromomethyl)-1-chloro-4-(trifluoromethyl)benzene
- English name
- 2-Chloro-5-(trifluoromethyl)benzyl bromide
- Molecular formula
- C8H5BrClF3
- Molecular weight
- 273.48
Names & synonyms
237761-77-22-(bromomethyl)-1-chloro-4-(trifluoromethyl)benzeneDTXSID20371527RefChem:253310DTXCID903225612-Chloro-5-(trifluoromethyl)benzyl bromide2-Chloro-5-5(trifluoromethyl)benzyl bromideMFCD002362162-Bromomethyl-1-chloro-4-trifluoromethyl-benzene2-chloro-5-trifluoromethyl-benzylbromide2-chloro-5-(trifluoromethyl)benzylbromideA816891
Show more names
ATB-4CAS:237761-77-2Chloro-5-5(trifluoroMethyl)benzylb2-Chloro-5-(trifluoromethyl)benzylbromide98%2-Chloro-5-(trifluoromethyl)benzyl bromide 98%2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene, 3-(Bromomethyl)-4-chlorobenzotrifluoride
2 - Chloro - 5 - (trifluoromethyl)benzyl bromideSCHEMBL271188Benzene, 2-(bromomethyl)-1-chloro-4-(trifluoromethyl)-SCHEMBL29594772AKOS005258557AS-33189SY101046DB-046240
Database identifiers
- CAS
237761-77-2
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 95 °C/50mm · 95°C/50mm
- Density
- 1.494 · 1.494
- refractive index
- 1.5125 · 1.5125
- Flash point
- 90 ℃ · 90℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- CAS DataBase Reference
- 237761 · 237761-77-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- Hazard Codes
- C,Xn
- Risk Statements
- 36 · 36/37/38-52/53-36-22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3276 · 3276
- Hazard Note
- Corrosive
- HazardClass
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3276
- hs_code
- 2903998090
- risk_code
- 36/37/38-52/53-36-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- 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
Chemistry & industry
Applications
Uses2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)-benzene is a useful reactant and has been used in the synthesis of tetrahydropyrido pyrazines as anaplastic lymphoma kinase inhibitors.
Suppliers72 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
6 records
Compound notes
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