Basic information
- CAS
886496-75-9- Standard SMILES
FC(F)(F)c1cc(Cl)ccc1CBr- InChIKey
LFFCKOROEHFKQA-UHFFFAOYSA-N- Molecular formula
- C8H5BrClF3
- Average molar mass
- 273.48 g/mol
- Monoisotopic mass
- 271.92152
Names & identifiers
- Preferred name
- 4-Chloro-2-(trifluoromethyl)benzyl bromide
- IUPAC
- 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene
- English name
- 4-Chloro-2-(trifluoromethyl)benzyl bromide
- Molecular formula
- C8H5BrClF3
- Molecular weight
- 273.48
Names & synonyms
886496-75-94-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDEDTXSID80392995RefChem:291473DTXCID303438561-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzeneMFCD04115840Benzene, 1-(bromomethyl)-4-chloro-2-(trifluoromethyl)-1-bromomethyl-4-chloro-2-trifluoromethyl-benzene4-chloro-2-(trifloromethyl)benzylbromideSCHEMBL119225CL9708
Show more names
AS-46463EN300-19301894-chloro-2-(triflorFT-0729376SCHEMBL29465609AKOS015956010SY228319DB-092754
Database identifiers
- CAS
886496-75-9- PubChem CID
- 3492597
- DTXSID
DTXSID80392995- EC Number
- 679-328-7
Properties
Computed structural properties
- 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
- 214 · 214.0±35.0 °C(Predicted)
- Density
- 1.663 · 1.663±0.06 g/cm3(Predicted)
- refractive index
- 1.52 · 1.5200
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Difficult to mix.
- form
- solid
- InChI
- 1S/C8H5BrClF3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
- InChIKey
- LFFCKOROEHFKQA-UHFFFAOYSA-N
- SMILES
- ClC1=CC(C(F)(F)F)=C(CBr)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- RIDADR
- 3265 · UN3265
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 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Corr. 1B (100%)；STOT SE 3 (20%)
Safety data
- ridadr
- UN3265
- hs_code
- 2909309090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H314-H318
- Hazard Classifications
Chemistry & industry
Applications
Uses4-Chloro-2-(trifluoromethyl)benzyl bromide is used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids
Upstream & downstream products
Upstream raw materials
Suppliers32 total
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
黄石精驰医药有限公司17771967576; 17771967576 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
百科源(成都)科技有限公司
Related reactions
20 records
Compound notes
Loading…