4-Bromo-3-(trifluoromethyl)aniline , 98% , 393-36-2

CAS NO.：393-36-2

Empirical Formula: C7H5BrF3N

Molecular Weight: 240.02

MDL number: MFCD00007827

EINECS: 206-885-1

PRODUCT Properties

• Melting point: 47-49 °C(lit.)
• Boiling point: 81-84 °C0.5 mm Hg(lit.)
• Density: 1.6925 (rough estimate)
• refractive index: 1.5320 (estimate)
• Flash point: >230 °F
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• solubility: soluble in Methanol
• pka: 2.67±0.10(Predicted)
• form: Solid:crystalline
• color: White to Orange to Green
• PH: 6.86 at 25℃ and 10g/L
• BRN: 641589
• InChI: 1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
• InChIKey: YGNISOAUPSJDJE-UHFFFAOYSA-N
• SMILES: Nc1ccc(Br)c(c1)C(F)(F)F
• LogP: 2.7 at 30℃
• CAS DataBase Reference: 393-36-2(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-2-bromobenzotrifluoride(393-36-2)

Description and Uses

4-Bromo-3-(trifluoromethyl)aniline has been used in the preparation of:

• 2,5-dibromo-(trifluoromethyl)benzene and 2-bromo-5-iodo-(trifluoromethyl)benzene
• AUY954, an aminocarboxylate analog of FTY720, a low nanomolar, monoselective agonist of the sphingosine-1-phosphate receptor

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: 2811
• WGK Germany: 3
• Hazard Note: Irritant
• HazardClass: 6.1
• HS Code: 29214300
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 3 Oral; Aquatic Chronic 2; Eye Irrit. 2; Skin Irrit. 2; Skin Sens. 1B; STOT RE 2 Oral