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104451-70-9

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Basic Information
CAS No.: 104451-70-9
Name: Benzaldehyde,2,3,6-trifluoro-
Molecular Structure:
Molecular Structure of 104451-70-9 (Benzaldehyde,2,3,6-trifluoro-)
Formula: C7H3F3O
Molecular Weight: 160.095
Synonyms: 2,3,6-TRIFLUOROBENZALDEHYDE;TIMTEC-BB SBB003970;2,3,6-Trilfuorobenzaldehyde;2,3,6-Trifluorobenzaldehyde 97%;2,3,6-Trifluorobenzaldehyde97%;2,3,6-trifluorobenzadehyde;2,3,6-Trifluorobenzaldehyde, 97% 1GR
EINECS: -0
Density: 1.407 g/cm3
Boiling Point: 172.6 °C at 760 mmHg
Flash Point: 49.4 °C
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-22
Safety: 37/39-26
Transport Information: UN2810/6.1/3PG
PSA: 17.07000
LogP: 1.91640
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Chemistry

Product Name: Benzaldehyde,2,3,6-trifluoro- (CAS NO.104451-70-9)

Molecular Formula: C7H3F3O
Molecular Weight: 160.09g/mol
Mol File: 104451-70-9.mol
Appearance: clear yellow liquid
Storage Temperature: Refrigerator (+4°C)
Sensitive: Air Sensitive
Index of Refraction: 1.491 
Molar Refractivity: 32.98 cm3 
Molar Volume: 113.7 cm3   
Surface Tension: 33.5 dyne/cm 
Density: 1.407 g/cm3 
Flash Point: 49.4 °C 
Enthalpy of Vaporization: 40.9 kJ/mol
Boiling Point: 172.6 °C at 760 mmHg
Vapour Pressure: 1.32 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Benzaldehyde,2,3,6-trifluoro- (CAS NO.104451-70-9):
  IUPAC Name: 2,3,6-trifluorobenzaldehyde
  Canonical SMILES: C1=CC(=C(C(=C1F)C=O)F)F
  InChI: InChI=1S/C7H3F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H 
  InChIKey: XSBAHBVACIKRTG-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Aldehydes; C7; Carbonyl Compounds

Safety Profile

Safety Information of Benzaldehyde,2,3,6-trifluoro- (CAS NO.104451-70-9):
Hazard Codes: XnHarmful,XiIrritant
Risk Statements: 36/37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN2810/6.1/3PG
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 Benzaldehyde,2,3,6-trifluoro- , its CAS NO. is 104451-70-9, the synonym is 2,3,6-Trifluorobenzaldehyde .