Basic information
- CAS
1214377-42-0- Standard SMILES
COc1ncc(Br)cc1C(F)(F)F- InChIKey
ZIOFHXRZJCIBCO-UHFFFAOYSA-N- Molecular formula
- C7H5BrF3NO
- Average molar mass
- 256.02 g/mol
- Monoisotopic mass
- 254.95066054
Names & identifiers
- Preferred name
- 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine
- IUPAC
- 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
- English name
- 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
- Molecular formula
- C7H5BrF3NO
- Molecular weight
- 256.02
Names & synonyms
5-BROMO-2-METHOXY-3-(TRIFLUOROMETHYL)PYRIDINE1214377-42-0DTXSID90693829RefChem:301686DTXCID90644578807-140-9MFCD13185815Pyridine, 5-bromo-2-methoxy-3-(trifluoromethyl)-SCHEMBL3220715-Bromo-2-methoxy-3-trifluoromethyl-pyridine5-Bromo-2-methoxy-3-(trifluoromethyl) pyridineAMY6513
Show more names
5-bromo-2-methoxy-3-(triflu2-Methoxy-3-trifluoromethyl-5-bromopyridine5-broMo-3-(trifluoroMethyl)-2-Methoxypyridine5-bromo-2-methoxy-3-(trifluoromethyl)pyridine ISO 9001：2015 REACH
BCP26SCHEMBL30851311AKOS015834217AB66794CS-W005196DS-14357FB105977SY011168
Database identifiers
- CAS
1214377-42-0- PubChem CID
- 53393182
- DTXSID
DTXSID90693829- EC Number
- 807-140-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 208 · 208.0±40.0 °C(Predicted)
- Density
- 1.637 · 1.637±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.38 · -1.38±0.20(Predicted)
- form
- liquid
- color
- Clear, colourless
- InChI
- InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
- InChIKey
- ZIOFHXRZJCIBCO-UHFFFAOYSA-N
- SMILES
- C1(OC)=NC=C(Br)C=C1C(F)(F)F
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 260 · P260-P271-P280
- HS Code
- 2933399990 · 2933399990
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
H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 3 (66.7%)
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安徽合诺生物科技有限公司0555-2761852
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州市捷诺医药科技有限公司13915093723
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Related reactions
4 records
Compound notes
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