2-(Trifluoromethyl)aniline
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Basic information
- CAS
88-17-5- Standard SMILES
Nc1ccccc1C(F)(F)F- InChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-N- Molecular formula
- C7H6F3N
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.04523385
Overview
2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)aniline
- IUPAC
- 2-(trifluoromethyl)aniline
- English name
- 2-Aminobenzotrifluoride
- Molecular formula
- C7H6F3N
- Molecular weight
- 161.12
Names & synonyms
2-(TRIFLUOROMETHYL)ANILINE2-Aminobenzotrifluoride88-17-52-Trifluoromethylanilineo-(Trifluoromethyl)anilineBenzenamine, 2-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-o-toluidineCCRIS 28112-trifluoromethylphenylamineEINECS 201-806-72-TrifluromethylanilineAI3-26182
Show more names
2-(trifluoromethyl)2-AminotrifluorotolueneO-AMINOBENZOTRIFLUORIDE2-(TrifLAKOS 911352-TrifluoroMetAKOS BBS-00004462TIMTEC-BB SBB0039552-Aminobenzotrifluor
I1R59842CENSC-10336UNII-I1R59842CEDTXSID7058961.alpha.,.alpha.,.alpha.-Trifluoro-o-toluidineEC 201-806-7UN 29422-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
Database identifiers
- CAS
88-17-5- PubChem CID
- 6922
- DTXSID
DTXSID7058961- ChEMBL
CHEMBL249549- UNII
- I1R59842CE
- EC Number
- 201-806-7
- Nikkaji
- J59.713I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 2nd degree
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical Description2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Physicochemical properties
- Melting point
- 34 °C · 34 °C(lit.)
- Boiling point
- 170 · 170-173 °C(lit.)
- Density
- 1.282 g/mL · 1.282 g/mL at 25 °C(lit.)
- vapor pressure
- 2.1 · 2.1-12.1hPa at 20-50℃
- refractive index
- 20 · n20/D 1.481(lit.)
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
This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.
Danger
H226 (64%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 236 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11316
2-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-(trifluoromethyl)-: ACTIVE
Applications
Useso-Aminobenzotrifluoride-d2 is a 4-substituted aniline derivative that exerts special hematotoxicity on red blood cells and induce leukocytosis. o-Aminobenzotrifluoride-d2 is a thiohydrazides used as an antibacterial remedy for Chlamydial infection treatment at chronic stages of infections.
General DescriptionA colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
112 records
Compound notes
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