Basic information
- CAS
106877-29-6- Standard SMILES
Cc1ccc(C(F)(F)F)c(N)c1- InChIKey
HYQKJEMNTMFLJA-UHFFFAOYSA-N- Molecular formula
- C8H8F3N
- Average molar mass
- 175.15 g/mol
- Monoisotopic mass
- 175.06088375
Names & identifiers
- Preferred name
- 5-Methyl-2-(trifluoromethyl)aniline
- IUPAC
- 5-methyl-2-(trifluoromethyl)aniline
- English name
- 5-Methyl-2-(trifluoromethyl)aniline
- Molecular formula
- C8H8F3N
- Molecular weight
- 175.15
Names & synonyms
5-METHYL-2-(TRIFLUOROMETHYL)ANILINE106877-29-6DTXSID30602990RefChem:304049DTXCID40553747831-563-8MFCD04972928Benzenamine, 5-methyl-2-(trifluoromethyl)-SCHEMBL2748456SCHEMBL29441420HYQKJEMNTMFLJA-UHFFFAOYSA-NAKOS016012171
Show more names
5-Methyl-2-trifluoromethyl-phenylamineDS-6636SY1135585-Methyl-2-(trifluoromethyl)aniline,98%DB-040715C71268EN300-134422F825518
Database identifiers
- CAS
106877-29-6- PubChem CID
- 20148822
- DTXSID
DTXSID30602990- EC Number
- 831-563-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 207.2 · 207.2±35.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.59 · 1.59±0.10(Predicted)
- Appearance
- Yellow to brown Liquid
- Water Solubility
- Slightly soluble in water.
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1
- HS Code
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- ridadr
- 2810
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers35 total
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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