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1-Methyl-1H-pyrrole-2-carbonyl chloride

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Name

1-Methyl-1H-pyrrole-2-carbonyl chloride

EINECS N/A
CAS No. 26214-68-6 Density 1.229 g/cm3
PSA 22.00000 LogP 1.40410
Solubility Reacts with water. Melting Point N/A
Formula C6H6ClNO Boiling Point 206.976 °C at 760 mmHg
Molecular Weight 143.573 Flash Point 78.977 °C
Transport Information 3265 Appearance N/A
Safety 26-36/37/39-8-45-30-23 Risk Codes 36/37/38-34-29-14
Molecular Structure Molecular Structure of 26214-68-6 (1-METHYLPYRROLE-2-CARBONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

Pyrrole-2-carbonylchloride, 1-methyl- (8CI);1-Methyl-1H-pyrrole-2-carbonyl chloride;1-Methyl-1H-pyrrole-2-carboxylic acid chloride;1-Methyl-2-pyrrolylcarbonylchloride;1-Methylpyrrole-2-carbonyl chloride;N-Methylpyrrole-2-carbonylchloride;

Article Data 38

1-Methyl-1H-pyrrole-2-carbonyl chloride Specification

The CAS register number of 1-Methyl-1H-pyrrole-2-carbonyl chloride is 26214-68-6. It also can be called as 1H-Pyrrole-2-carbonylchloride, 1-methyl- and the IUPAC name about this chemical is 1-methylpyrrole-2-carbonyl chloride. The molecular formula about this chemical is C6H6ClNO and the molecular weight is 143.57. 

Physical properties about 1-Methyl-1H-pyrrole-2-carbonyl chloride are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.616; (3)ACD/LogD (pH 7.4): 1.616; (4)ACD/BCF (pH 5.5): 9.955; (5)ACD/BCF (pH 7.4): 9.955; (6)ACD/KOC (pH 5.5): 180.31; (7)ACD/KOC (pH 7.4): 180.31; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 36.867 cm3; (13)Molar Volume: 116.861 cm3; (14)Polarizability: 14.615x10-24cm3; (15)Surface Tension: 39.153 dyne/cm; (16)Enthalpy of Vaporization: 44.322 kJ/mol; (17)Boiling Point: 206.976 °C at 760 mmHg; (18)Vapour Pressure: 0.231 mmHg at 25°C.

Uses of 1-Methyl-1H-pyrrole-2-carbonyl chloride: it can be used to produce [(1-methyl-2-pyrrolyl)carbonyl]trimethylsilane with hexamethyl-disilane at heating. This reaction will need reagent (p-allyl-PdCl)2, P(OEt)3 and solvent toluene with reaction time of 6 hours. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin snd it can cause burns, it reacts violently with water, contact with water liberates toxic gas. When you are using it, wear suitable protective clothing, gloves and eye/face protection, whatever, you need keep container dry and never add water to this product. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cccc1C(=O)Cl
(2)InChI: InChI=1/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
(3)InChIKey: JOYDZQJINHJNPM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
(5)Std. InChIKey: JOYDZQJINHJNPM-UHFFFAOYSA-N

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