Basic information
- CAS
175278-17-8- Standard SMILES
Nc1ccc(OC(F)(F)F)cc1Br- InChIKey
ROSTYHNIIDIBEG-UHFFFAOYSA-N- Molecular formula
- C7H5BrF3NO
- Average molar mass
- 256.02 g/mol
- Monoisotopic mass
- 254.95066
Names & identifiers
- Preferred name
- 2-Bromo-4-(trifluoromethoxy)aniline
- IUPAC
- 2-bromo-4-(trifluoromethoxy)aniline
- English name
- 2-Bromo-4-trifluoromethoxyaniline
- Molecular formula
- C7H5BrF3NO
- Molecular weight
- 256.02
Names & synonyms
2-Bromo-4-(trifluoromethoxy)aniline175278-17-82-Bromo-4-trifluoromethoxyanilineDTXSID10350866RefChem:466459DTXCID50301933629-119-1Benzenamine, 2-bromo-4-(trifluoromethoxy)-MFCD002034782-bromo-4-(trifluoromethoxy)phenylamine2-Bromo-4-trifluoromethoxy-phenylamineRiluzol RIL-VI
Show more names
BUTTPARK 83\07-262-Bromo-4-trifluoromLiraglutide Impurity 05Fluoroestradiol Impurity 282-Bromo-4-(trifluoeomethoxy)aniline2-Bromo-4-(trifluoromethoxy)aniline98%2-Bromo-4-(trifluoromethoxy)aniline 98%2-Bromo-4-(trifluoromethoxy)aniline >Benzenamine, 2-bromo-4-(trifluoromethoxy)-
SCHEMBL6042362-bromo-4(trifluoromethoxy)anilineSBB101656AKOS005063497CS-W012568PS-7408SY0142682-Bromo-4-(trifluoromethoxy)aniline, 98%
Database identifiers
- CAS
175278-17-8- PubChem CID
- 688296
- DTXSID
DTXSID10350866- EC Number
- 629-119-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 209 °C · 209 °C(lit.)
- Density
- 1.693 g/mL · 1.693 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.504(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 1.68 · 1.68±0.10(Predicted)
- color
- Clear light yellow to orange-yellow
- Specific Gravity
- 1.693 · 1.693
- InChI
- InChI=1S/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
- InChIKey
- ROSTYHNIIDIBEG-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(OC(F)(F)F)C=C1Br
- CAS DataBase Reference
- 175278 · 175278-17-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29222990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Toxic
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海恩氟佳科技有限公司15800445152 · [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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
20 records
Compound notes
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