ChemicalBook--->CAS DataBase List--->96-54-8

96-54-8

96-54-8 Structure

96-54-8 Structure
IdentificationMore
[Name]

N-Methyl pyrrole
[CAS]

96-54-8
[Synonyms]

1-methyl-1h-pyrrole
1-METHYLPYRROLE
N-METHYLPYRROLE
1H-pyrrole,1-methyl-
1-methyl-1h-pyrrol
1-Methylpyrrol
1-methyl-pyrrol
N-Methylpyrrol
Pyrrole, 1-methyl-
pyrrole,1-methyl-
1-METHYLPYRROLE 99+%
N-Methylpyrrole,99%
METHYLPYRROLE
[EINECS(EC#)]

202-513-7
[Molecular Formula]

C5H7N
[MDL Number]

MFCD00005345
[Molecular Weight]

81.12
[MOL File]

96-54-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to light brown liquid
[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. ]

2-8°C
[solubility ]

13g/l
[form ]

liquid
[pka]

-2.80±0.70(Predicted)
[color ]

yellow-brown
[Odor]

at 1.00 % in dipropylene glycol. powerful smoky woody herbal
[PH]

10.4 (10g/l, H2O, 10℃)
[biological source]

synthetic
[explosive limit]

1.4-8.5%(V)
[Odor Type]

woody
[Water Solubility ]

Soluble in organic solvents such as alcohol and so on, but insoluble in water.
[BRN ]

104181
[Major Application]

flavors and fragrances
[InChI]

1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
[InChIKey]

OXHNLMTVIGZXSG-UHFFFAOYSA-N
[SMILES]

Cn1cccc1
[LogP]

1.210
[Uses]

Organic synthesis.
[CAS DataBase Reference]

96-54-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrrole, 1-methyl-(96-54-8)
[EPA Substance Registry System]

96-54-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302-H315
[Precautionary statements ]

P210-P233-P240-P241-P301+P312-P303+P361+P353
[Hazard Codes ]

F,Xi,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37:Wear suitable gloves .
S25:Avoid contact with eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[RTECS ]

UX9640000
[Autoignition Temperature]

400 °C
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29339990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 2
Skin Irrit. 2
[Toxicity]

LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Methyl-1H-pyrrole(96-54-8).msds
Hazard InformationBack Directory
[Hazard]

Flammable, dangerous fire risk.
[Description]

1-Methylpyrrole is a fundamental structural unit employed in synthesis, belonging to the class of pyrrole compounds. It can be used as a monomer for preparing thin-film polymers and is utilised in electrochemical research. It also participates in photoaddition and substitution reactions, and is used to prepare hybrid compounds such as 1-methyl-2-(1,2-diphenylethyl)pyrrole.
[Chemical Properties]

clear yellow to light brown liquid
[Definition]

ChEBI: 1-Methylpyrrole is a member of pyrroles.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

N-Methyl pyrrole(96-54-8)MS
N-Methyl pyrrole(96-54-8)1HNMR
N-Methyl pyrrole(96-54-8)13CNMR
N-Methyl pyrrole(96-54-8)IR1
N-Methyl pyrrole(96-54-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methylpyrrole, 99+%(96-54-8)
[Alfa Aesar]

1-Methylpyrrole, 99%(96-54-8)
[Sigma Aldrich]

96-54-8(sigmaaldrich)
[TCI AMERICA]

1-Methylpyrrole,>99.0%(GC)(96-54-8)
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