Basic information
- CAS
915416-45-4- Standard SMILES
Nc1ccccc1-c1cc(F)c(F)c(F)c1- InChIKey
FTIKVBVUYPQUBF-UHFFFAOYSA-N- Molecular formula
- C12H8F3N
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.06088392
Names & identifiers
- Preferred name
- 3,4,5-Trifluoro-2'-aminobiphenyl
- IUPAC
- 2-(3,4,5-trifluorophenyl)aniline
- English name
- 3',4',5'-trifluorobiphenyl-2-aMine
- Molecular formula
- C12H8F3N
- Molecular weight
- 223.19
Names & synonyms
915416-45-42-(3,4,5-trifluorophenyl)aniline3',4',5'-Trifluorobiphenyl-2-ylamine3,4,5-Trifluoro-2'-aminobiphenylUNII-10XDA3W53S10XDA3W53S[1,1'-Biphenyl]-2-amine, 3',4',5'-trifluoro-3',4',5'-Trifluoro(1,1'-biphenyl)-2-amine(1,1'-Biphenyl)-2-amine, 3',4',5'-trifluoro-DTXSID606580413',4',5'-Trifluoro[1,1'-biphenyl]-2-amineRefChem:198048
Show more names
3',4',5'-trifluoro-[1,1'-biphenyl]-2-am3',4',5'-trifluoro-[1,1'-biphenyl]-2-am
DTXCID306087903',4',5'-Trifluoro-[1,1'-biphenyl]-2-amine3',4',5'-trifluorobiphenyl-2-amineMFCD14603436Fluxapyroxad-0023',4',5'-trifluoro-2-aminobiphenylSCHEMBL397483SCHEMBL977502
Database identifiers
- CAS
915416-45-4- PubChem CID
- 44249263
- DTXSID
DTXSID60658041- UNII
- 10XDA3W53S
- EC Number
- 619-905-2
- Nikkaji
- J3.142.345G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Boiling point
- 303.7 · 303.7±37.0 °C(Predicted)
- Density
- 1.315 · 1.315
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 2.17 · 2.17±0.10(Predicted)
- form
- Solid
- color
- Off-White to Light Beige
- InChI
- InChI=1S/C12H8F3N/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h1-6H,16H2
- InChIKey
- FTIKVBVUYPQUBF-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(F)=C(F)C(F)=C2)=CC=CC=C1N
- FDA UNII
- 10 XDA3W53S · 10XDA3W53S
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-2-amine, 3',4',5'-trifluoro- (915416-45-4)
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
H317 (73.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 142 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 11-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20098
Hazard Classes and CategoriesSkin Sens. 1A (73.9%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses3'',4'',5''-Trifluoro-[1,1''-biphenyl]-2-amine is a building block used in various chemical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
山东玖玥生物科技有限公司15553333686 · [email protected]
郑州阿尔法化工有限公司
Related reactions
6 records
Compound notes
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