Trifluoromethanesulfonic acid , 98% , 1493-13-6

Synonym(s):
TFMSA;Triflic acid;Triflic acid, TFMS;Trifluoromethanesulfonic acid

CAS NO.：1493-13-6

Empirical Formula: CHF3O3S

Molecular Weight: 150.08

MDL number: MFCD00007514

EINECS: 216-087-5

PRODUCT Properties

• Melting point: -40 °C
• Boiling point: 162 °C (lit.)
• Density: 1.696 g/mL at 25 °C (lit.)
• vapor density: 5.2 (vs air)
• vapor pressure: 8 mm Hg ( 25 °C)
• refractive index: n20/D 1.327(lit.)
• RTECS: PB2771000
• Flash point: None
• storage temp.: Store below +30°C.
• solubility: Miscible in H₂O
• pka: -14(at 25℃)
• form: Fuming Liquid
• color: slightly brown
• Specific Gravity: 1.696
• PH: <1 (H2O)
• Water Solubility: SOLUBLE
• Sensitive: Hygroscopic
• Merck: 14,9676
• BRN: 1812100
• Stability: Stable. Incompatible with acids, alkalis, metals.
• InChI: 1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
• InChIKey: ITMCEJHCFYSIIV-UHFFFAOYSA-N
• SMILES: OS(=O)(=O)C(F)(F)F
• LogP: 0.3 at 25℃
• CAS DataBase Reference: 1493-13-6(CAS DataBase Reference)
• NIST Chemistry Reference: CF3SO3H(1493-13-6)
• EPA Substance Registry System: Methanesulfonic acid, trifluoro- (1493-13-6)

Description and Uses

A cost-effective process for synthesizing daidzein was developed by Hai Cao and colleagues^[1]. A two-step synthesis of daidzein (Friedel–Crafts acylation and [5+1] cyclization) was developed via the employment of trifluoromethanesulfonic acid (TfOH) as an effective promoting reagent. Due to the facilitating effect of TfOH, the Friedel–Crafts acylation was completed within 10 min at 90 °C and the [5+1] cyclization was completed within 180 min at 25 °C.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H290-H302-H314-H335
• Precautionary statements: P234-P261-P280-P301+P312-P303+P361+P353-P305+P351+P338
• target organs: Respiratory system
• PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
• Hazard Codes: C
• Risk Statements: 21/22-35-10
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 2
• F: 3-10
• Hazard Note: Corrosive/Hygroscopic
• TSCA: TSCA listed
• HazardClass: 8
• PackingGroup: II
• HS Code: 29049020
• Storage Class: 8A - Combustible corrosive hazardous materials
• Hazard Classifications: Acute Tox. 4 Oral; Met. Corr. 1; Skin Corr. 1B; STOT SE 3
• Toxicity: LD50 orally in Rabbit: 1605 mg/kg LD50 dermal Rat > 2000 mg/kg
• REACH Registrations: Active
• Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)