4-(Trifluoromethyl)aniline HydroChloride

• Catalog Number: ACM90774699-2
• Product Name: 4-(Trifluoromethyl)aniline HydroChloride
• CAS: 90774-69-9
• Category: Amine Salts
• Synonyms: 4-(Trifluoromethyl)anilinium Chloride; 4-Aminobenzotrifluoride HydroChloride
• IUPAC Name: 4-(trifluoromethyl)aniline;hydrochloride
• Molecular Weight: 197.59 g/mol
• Molecular Formula: C7H6F3N•HCl
• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl
• InChI: InChI=1S/C8H14N2O3S.C2F6NO4S2/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,2-4,7H2,1H3;/q;-1/p+1
• InChI Key: PXYKADKIWNXJNF-UHFFFAOYSA-O
• Melting Point: 202 °C
• Appearance: White to Light yellow powder to crystal
• Storage: Store under inert gas
• Color: White to Light yellow Powder to crystal
• Complexity: 124
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 292-679-7
• Exact Mass: 197.021911g/mol
• Form: Solid
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• MDL Number: MFCD00007897
• Monoisotopic Mass: 197.021911g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Signal Word: Warning
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-(Trifluoromethyl)aniline hydrochloride?

The molecular formula of 4-(Trifluoromethyl)aniline hydrochloride is C7H7ClF3N.

What is the molecular weight of 4-(Trifluoromethyl)aniline hydrochloride?

The molecular weight of 4-(Trifluoromethyl)aniline hydrochloride is 197.58 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)aniline hydrochloride?

The IUPAC name of 4-(Trifluoromethyl)aniline hydrochloride is 4-(trifluoromethyl)aniline;hydrochloride.

What is the InChI of 4-(Trifluoromethyl)aniline hydrochloride?

The InChI of 4-(Trifluoromethyl)aniline hydrochloride is InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H.

What is the InChIKey of 4-(Trifluoromethyl)aniline hydrochloride?

The InChIKey of 4-(Trifluoromethyl)aniline hydrochloride is CZGDYZDUMJDQSD-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Trifluoromethyl)aniline hydrochloride?

The canonical SMILES of 4-(Trifluoromethyl)aniline hydrochloride is C1=CC(=CC=C1C(F)(F)F)N.Cl.

What is the CAS number of 4-(Trifluoromethyl)aniline hydrochloride?

The CAS number of 4-(Trifluoromethyl)aniline hydrochloride is 90774-69-9.

What is the European Community (EC) number of 4-(Trifluoromethyl)aniline hydrochloride?

The European Community (EC) number of 4-(Trifluoromethyl)aniline hydrochloride is 292-679-7.

What is the hydrogen bond donor count of 4-(Trifluoromethyl)aniline hydrochloride?

The hydrogen bond donor count of 4-(Trifluoromethyl)aniline hydrochloride is 2.

What is the hydrogen bond acceptor count of 4-(Trifluoromethyl)aniline hydrochloride?

The hydrogen bond acceptor count of 4-(Trifluoromethyl)aniline hydrochloride is 4.