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Home> Encyclopedia > Hot Product Listed 4   > 4-(Trifluoromethyl)benzaldehyde
455-19-6 structure

4-(Trifluoromethyl)benzaldehyde

Iupac Name:4-(trifluoromethyl)benzaldehyde
CAS No.:455-19-6
EINECS(EC#): 207-240-7
Molecular Weight:174.11991
Molecular Formula:C8H5F3O (isomer)
Names and Identifiers
Synonyms

4-Trifluoromethylbenzaldehyde alpha,alpha,alpha-Trifluoro-p-tolualdehyde Benzaldehyde, 4-(trifluoromethyl)- p-(Trifluoromethyl)benzaldehyde p-Trifluoridemethylbenzaldehyde p-trifluoromethyl benzaldehyde

Inchi
InChI=1/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChkey
BEOBZEOPTQQELP-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C=O)C(F)(F)F
Properties
Appearance
Colorless liquid Moisture: <1.0%
Density
1.275
Melting Point
1-2°C
Boiling Point
66-67℃ (13 mmHg)
Vapour
1.09mmHg at 25°C
Refractive Index
n20/D 1.463(lit.)
Flash Point
65℃
Solubility
1.5 g/L (20 C)
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29130000
Storage temp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26
Safety

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-23
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT, AIR SENSITIVE
HS Code: 29130000

Toxicity

TSCA?: T

Sensitive
Air Sensitive
Specification

? 4-(Trifluoromethyl)benzaldehyde ,?its cas register number is 455-19-6. It also can be called?4-(trifluoromethyl)-benzaldehyd ; Benzaldehyde, 4-(trifluoromethyl)- ;?p-(Trifluoromethyl)benzaldehyde .?4-(Trifluoromethyl)benzaldehyde (CAS NO.455-19-6) is a clear colorless to yellow liquid.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:174.11991g/mol
  • Molecular Formula:C8H5F3O
  • XLogP3-AA:2.6
  • Exact Mass:174.029249
  • Monoisotopic Mass:174.029249
  • Complexity:156
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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