2-Chloro-4-(trifluoromethoxy)aniline

• CAS: 69695-61-0
• Catalog Number: ACM69695610
• Category: Amines
• Molecular Weight: 211.57
• Molecular Formula: C₇H₅ClF₃NO
• Synonyms: 655929_ALDRICH, ZINC02382405, 2-Chloro-4-trifluoromethoxyaniline, SBB003433, 2-Chloro-4-(trifluoromethoxy)aniline, CID2734084, D1111, 69695-61-0
• IUPAC Name: 2-chloro-4-(trifluoromethoxy)aniline
• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)Cl)N
• InChI Key: YMLWONHDNGICOH-UHFFFAOYSA-N
• Boiling Point: 94-96ºC (11 MMHG)
• Flash Point: 98ºC
• Density: 1.524
• Appearance: pale yellow to yellow-brown liquid
• Exact Mass: 211.00100
• Hazard Statements: H319
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S37/39
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Chloro-4-(trifluoromethoxy)aniline?

The molecular formula of 2-Chloro-4-(trifluoromethoxy)aniline is C7H5ClF3NO.

What is the molecular weight of 2-Chloro-4-(trifluoromethoxy)aniline?

The molecular weight of 2-Chloro-4-(trifluoromethoxy)aniline is 211.57 g/mol.

What is the IUPAC Name of 2-Chloro-4-(trifluoromethoxy)aniline?

The IUPAC Name of 2-Chloro-4-(trifluoromethoxy)aniline is 2-chloro-4-(trifluoromethoxy)aniline.

What is the InChI of 2-Chloro-4-(trifluoromethoxy)aniline?

The InChI of 2-Chloro-4-(trifluoromethoxy)aniline is InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2.

What is the InChIKey of 2-Chloro-4-(trifluoromethoxy)aniline?

The InChIKey of 2-Chloro-4-(trifluoromethoxy)aniline is YMLWONHDNGICOH-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Chloro-4-(trifluoromethoxy)aniline?

The Canonical SMILES of 2-Chloro-4-(trifluoromethoxy)aniline is C1=CC(=C(C=C1OC(F)(F)F)Cl)N.

What is the CAS number of 2-Chloro-4-(trifluoromethoxy)aniline?

The CAS number of 2-Chloro-4-(trifluoromethoxy)aniline is 69695-61-0.

What is the EC number of 2-Chloro-4-(trifluoromethoxy)aniline?

The EC number of 2-Chloro-4-(trifluoromethoxy)aniline is 627-538-4.

What is the XLogP3 value of 2-Chloro-4-(trifluoromethoxy)aniline?

The XLogP3 value of 2-Chloro-4-(trifluoromethoxy)aniline is 3.5.

Is 2-Chloro-4-(trifluoromethoxy)aniline a canonicalized compound?

Yes, 2-Chloro-4-(trifluoromethoxy)aniline is a canonicalized compound.