Basic information
- Name:
2-(Trichloroacetyl)pyrrole
- CAS No.:
35302-72-8
- Molecular Structure:
- Formula:
- C6H4Cl3NO
- Molecular Weight:
- 212.46
- Synonyms:
- 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone;Ethanone,2,2,2-trichloro-1-(1H-pyrrol-2-yl)-;NSC 272669;Pyrrol-2-yl trichloromethyl ketone;
- Density:
- 1.591 g/cm3
- Melting Point:
- 72-74 °C(lit.)
- Boiling Point:
- 285.3 °C at 760mmHg
- Flash Point:
- 126.364 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
Molecule structure of 2-(Trichloroacetyl)pyrrole (CAS NO.35302-72-8):
IUPAC Name: 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone
Molecular Weight: 212.46106 g/mol
Molecular Formula: C6H4Cl3NO
Density: 1.591 g/cm3
Melting Point: 72-74 °C(lit.)
Boiling Point: 285.3 °C at 760 mmHg
Flash Point: 126.4 °C
Index of Refraction: 1.592
Molar Refractivity: 45.22 cm3
Molar Volume: 133.4 cm3
Surface Tension: 54.3 dyne/cm
Enthalpy of Vaporization: 52.44 kJ/mol
Vapour Pressure: 0.00282 mmHg at 25 °C
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 210.935847
MonoIsotopic Mass: 210.935847
Topological Polar Surface Area: 32.9
Heavy Atom Count: 11
Canonical SMILES: C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C6H4Cl3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChIKey: BBFDGMDENAEMKF-UHFFFAOYSA-N
Product Categories of 2-(Trichloroacetyl)pyrrole (CAS NO.35302-72-8): Azoles; blocks; Carboxes; Pyrroles & Indoles; Pyrroles & Indoles
Safety Profile
Hazard Codes: 
Xi
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
HazardClass: IRRITANT
Specification
2-(Trichloroacetyl)pyrrole (CAS NO.35302-72-8) is also named as 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone ; Ethanone, 2,2,2-trichloro-1-(1H-pyrrol-2-yl)- ; 2-(Trichloroacetyl)-1H-pyrrole ; 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethan-1-one ; 2-Pyrrolyl trichloromethyl ketone .
