2,4,5-Trifluorophenylacetic acid

Product information

• Chinese Name:

2,4,5-三氟苯乙酸

• English Name:

2,4,5-Trifluorophenylacetic acid

• CAS No.

209995-38-0

• Molecular formula:

Isomers of C8H5F3O2

• Molecular weight:

190.121

• EINECS No.

466-070-3; 606-684-2

• Categories:

medicinal intermediates

• Inchi

InChI = 1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H 2(H,12,13)

• InChkey

YSQLGQUQDTBSL-UHFFFAOYSA-N

• International Federation Naming

2-(2,4,5-trifluorophenyl) acetic acid

Physicochemical attributes

• Density:

One point four six eight

• Melting point:

121-125 C

• Boiling point:

255 oC at 760 mmHg

• Refractive index:

One point four eight eight

• Flash point:

108 oC

• PSA:

37.30000

• LOGP:

1.73100

Secruity information

• Symbol:

GHS05; GHS07;

• Signal words:

DANGER

• Hazard Statement:

H315; H318; H335

• Hazardous Category Code:

R37/38; R41

• Safety instructions:

S26; S39

• Dangerous Goods Mark:

Xi

MSDS

• Summary of emergencies:

Cause skin irritation. Cause serious eye injury. It can cause respiratory irritation.

• GHS risk categories:

Skin corrosion/irritation

Severe eye injury/eye irritation

Specific target organ toxicity in one contact

• Risk statement:

H315 causes skin irritation.

H318 caused severe eye injury.

H335 can cause respiratory irritation.

• Preventive instructions:
• Preventive measures:

Clean thoroughly after P264 operation.

P280 wears protective gloves/protective clothing/protective eye mask/protective mask.

P261 avoid inhalation of dust / smoke / gas / smoke / vapour / spray.

P271 can only be used outdoors or in good ventilation.

• Accident response:

If skin is contaminated, wash thoroughly with water.

Specific treatment of P321 (see... On this label) )

If skin irritation occurs in P332+P313: Seek a doctor/see a doctor.

P362+P364 Remove contaminated clothes and reuse them after cleaning.

If P305 + P351 + P338 enters the eyes, rinse with water carefully for a few minutes. If you wear contact lenses and can easily take out, take out contact lenses. Continue to rinse.

P310 Call Detoxification Center/Doctor Immediately

If inhaled incorrectly, P304 + P340 can transfer people to fresh air and keep breathing comfortable position.

If you feel unwell, call the detoxification center/doctor

• Safe storage:

P403+P233 is stored in a well ventilated place. Keep the container airtight.

P405 storage must be locked.

• Waste disposal:

P501 disposes of contents/containers in accordance with local regulations.

• Health hazards:

Cause skin irritation. Cause serious eye injury. It can cause respiratory irritation.

Customs data

• China Customs Code: 2916399090
• Summary: 2916399090 Other aromatic monocarboxylic acids. VAT rate: 17.0% rebate rate: 9.0% regulatory conditions: no MFN tariff: 6.5% general tariff: 30.0%.
• Declaration Elements: Name, Component Content, Usage, Acrylic Acid, Acrylate or Ester should be declared packing
• Summary: 2916399090 Other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT: 17.0% Tax rebate rate: 9.0% Supervision conditions: none MFN: 6.5% General tariff: 30.0%

Computational chemical data

• Molecular weight: 190.121g/mol
• Compound Specification: True
• Accurate quality: 190.024
• Isotope mass: 190.024
• Complexity: 198
• Number of rotatable chemical bonds: 2
• Number of hydrogen-bonded donors: 1
• Number of hydrogen bond receptors: 5
• Topological Pole Surface Area: 37.3A^2
• Number of heavy atoms: 13
• Determine the number of atomic conformation centers: 0
• Uncertain Number of Atomic Constitutive Centers: 0
• Determine the number of chemical bond centers: 0
• Uncertain number of chemical bond centers: 0
• Isotope atomic count: 0
• Number of covalent bond units: 1
• CACTVS Substructure Key Fingerprint: AAADcYBwMYAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAAAAAAAAAAAAAACAmAgwCIAAAAAgCI AiDSCAACAAAAAAAAAAAAAAAAAAiAAIgIIDKAFRCAYAAkwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==