N-Methyl pyrrole

N-Methyl pyrrole Basic information

Product Name:	N-Methyl pyrrole
Synonyms:	N-Methylpyrrol;Pyrrole, 1-methyl-;pyrrole,1-methyl-;1-methyl-1h-pyrrole;1-METHYLPYRROLE;METHYLPYRROLE;1-METHYLPYRROLE 99+%;N-Methylpyrrole,99%
CAS:	96-54-8
MF:	C5H7N
MW:	81.12
EINECS:	202-513-7
Product Categories:	Building Blocks;Heterocyclic Building Blocks;Functional Materials;Pyrroles (for Conduting Polymer Research);Reagents for Conducting Polymer Research;Pyrroles;pyrrole;Imidazoles
Mol File:	96-54-8.mol

N-Methyl pyrrole Chemical Properties

Melting point	-57 °C (lit.)
Boiling point	112-113 °C (lit.)
density	0.914 g/mL at 25 °C (lit.)
vapor density	2.8 (vs air)
vapor pressure	15 mm Hg ( 20.2 °C)
refractive index	n20/D 1.489
Fp	59 °F
storage temp.	Store below +30°C.
solubility	13g/l
pka	-2.80±0.70(Predicted)
form	liquid
color	yellow-brown
PH	10.4 (10g/l, H2O, 10℃)
Odor	at 1.00 % in dipropylene glycol. powerful smoky woody herbal
Odor Type	woody
explosive limit	1.4-8.5%(V)
Water Solubility	Soluble in organic solvents such as alcohol and so on, but insoluble in water.
BRN	104181
InChIKey	OXHNLMTVIGZXSG-UHFFFAOYSA-N
LogP	1.210
CAS DataBase Reference	96-54-8(CAS DataBase Reference)
NIST Chemistry Reference	1H-Pyrrole, 1-methyl-(96-54-8)
EPA Substance Registry System	1H-Pyrrole, 1-methyl- (96-54-8)

Safety Information

Hazard Codes	F,Xi,Xn
Risk Statements	11-36/37/38-37/38-22
Safety Statements	16-26-36-37-25-23
RIDADR	UN 1993 3/PG 2
WGK Germany	3
RTECS	UX9640000
Autoignition Temperature	400 °C
TSCA	Yes
HazardClass	3
PackingGroup	II
HS Code	29339990
Toxicity	LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg

MSDS Information

N-Methyl pyrrole Usage And Synthesis

Chemical Properties	clear yellow to light brown liquid
Uses	Organic synthesis.
Uses	1-Methylpyrrole, can be used as organic synthetic materials, widely used in medicine. It is also used as a pharmaceutical intermediate.
Definition	ChEBI: 1-Methylpyrrole is a member of pyrroles.
Hazard	Flammable, dangerous fire risk.
Purification Methods	Dry N-methylpyrrole with CaSO4, then fractionally distil it from KOH immediately before use. [Beilstein 20 III/IV 2080, 20/5 V 8.]

N-Methyl pyrrole Preparation Products And Raw materials

Raw materials	1H-Pyrrole, 2,3-bis[(1,1-dimethylethyl)thio]-1-methyl--->1H-Pyrrole, 1-methyl-2-(methylthio)--->METHYL PYRROLE-1-CARBOXYLATE-->Methyl 4-(3-cyanopyridin-2-yl)-5-formyl-1H-pyrrole-3-carboxylate-->N-ETHYLPYRROLE-->1H-pyrrole, 1,2-diMethyl--->3,3-Dimethyl-1-butene-->Methylamine hydrochloride-->2,5-Dimethoxytetrahydrofuran-->Ethyl 3-bromopropionate-->1-Methylpyrrolidine-->SUCCINALDEHYDE
Preparation Products	1-METHYLPYRROLE-2-CARBONYL CHLORIDE-->(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE-->3,4'-Dichlorodiphenyl ether-->ethyl 1-methylpyrrole-2-carboxylate-->2-METHYL-1H-PYRROLE-->Trigonelline

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