Basic information
- CAS
1369923-98-7- Standard SMILES
CCc1ccc(C(F)(F)F)cc1N- InChIKey
MOJQDGQMSMYUDN-UHFFFAOYSA-N- Molecular formula
- C9H10F3N
- Average molar mass
- 189.18 g/mol
- Monoisotopic mass
- 189.07653381
Names & identifiers
- Preferred name
- 2-Ethyl-5-(trifluoromethyl)benzenamine
- IUPAC
- 2-ethyl-5-(trifluoromethyl)aniline
- English name
- 2-Ethyl-5-(trifluoromethyl)benzenamine
- Molecular formula
- C9H10F3N
- Molecular weight
- 189.18
Names & synonyms
2-ethyl-5-(trifluoromethyl)benzenamine1369923-98-72-ethyl-5-(trifluoromethyl)anilineMFCD22480989SCHEMBL14367955UEC92398SY407301Benzenamine, 2-ethyl-5-(trifluoromethyl)-F75427EN300-1642813F867494
Database identifiers
- CAS
1369923-98-7- PubChem CID
- 21336828
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 222.4 · 222.4±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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