1-Methylpyrrole

Names

[ CAS No. ]:
96-54-8

[ Name ]:
1-Methylpyrrole

[Synonym ]:
N-Methyl pyrrole
EINECS 202-513-7
pyrrole, N-methyl-
N-methylpyrrole
1H-Pyrrole, 1-methyl-
1-Methyl-1H-pyrrole
1-Methylpyrrole
Pyrrole, 1-methyl-
MFCD00005345

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
112.5±0.0 °C at 760 mmHg

[ Melting Point ]:
−57 °C(lit.)

[ Molecular Formula ]:
C₅H₇N

[ Molecular Weight ]:
81.116

[ Flash Point ]:
15.0±0.0 °C

[ Exact Mass ]:
81.057846

[ PSA ]:
4.93000

[ LogP ]:
1.21

[ Vapour density ]:
2.8 (vs air)

[ Vapour Pressure ]:
25.6±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.484

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9640000

CHEMICAL NAME :: Pyrrole, 1-methyl-

CAS REGISTRY NUMBER :: 96-54-8

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H7-N

MOLECULAR WEIGHT :: 81.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 40600 ug/disk

REFERENCE :: JFAKAU Journal of the Faculty of Agriculture, Kyushu University. (Kyushu Univ., Faculty of Agriculture, 6-10-1 Hakozaki, Higashi-ku, Fukuoka, 812, Japan) V.9- 1948- Volume(issue)/page/year: 31,279,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6930 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H315-H319-H335

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable;Xn:Harmful;

[ Risk Phrases ]:
R11;R22;R37/38

[ Safety Phrases ]:
S16-S26-S36-S37-S25-S23

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
UX9640000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Methylpyrrolidine
Pyrrole
methyl iodide
4-cyano-pyridin-2-yl-1H-pyrrole-3-carboxylic acid methyl ester
3,3-Dimethyl-1-butene
2,3-bis(tert-butylsulfanyl)-1-methylpyrrole
1,4-bis-(dimethylamino)-1,3-butadiene
2,5-Dimethoxytetrahydrofuran
Methylamine hydrochloride
1-methyl-2-methylsulfanylpyrrole

DownStream

1-Methylpyrrolidine
1H-Pyrrole, 2,5-dihydro-1-methyl-
1-methyl-4-(1-methylpyrrolidin-2-yl)-2,3-dihydro-1H-pyrrole
methylamine
trimethyl-(1-methylpyrrol-2-yl)stannane
1,1'-(1-methyl-1H-pyrrole-3,4-diyl)bis(2,2-dimethyl-1-propanone)
2,2-dimethyl-1-(1-methylpyrrol-3-yl)propan-1-one
1,1'-(1''-methyl-1''H-pyrrol-2'',4''-diyl)bis(2,2-dimethylpropan-1-one)
2,2-dimethyl-1-(1-methylpyrrol-2-yl)propan-1-one
2-Trichloroacetylpyrrole

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

New insights on the photodissociation of N-methylpyrrole: the role of stereoelectronic effects.

J. Phys. Chem. A 113(52) , 14554-8, (2009)

We investigated the reaction dynamics of N-methylpyrrole (NMP) along the N-CH3 coordinate, upon excitation energies below 6.4 eV. Ours and previous experiments show clearly the existence of different ...

Investigation of non-covalent complexes of HIV-1 promoter DNA and polyamides containing N-methylpyrrole by electrospray ionization mass spectrometry.

Rapid Commun. Mass Spectrom. 20(11) , 1736-40, (2006)

Eight novel polyamides containing N-methylpyrrole were designed to target the sequence (5'-CTGCATATAAGCAG-3'/5'-CTGCTTATATGCAG-3') of the TATA box element of the HIV-1 promoter DNA. The non-covalent c...

Analysis of noncovalent complexes between human telomeric DNA and polyamides containing N-methylpyrrole and N-methylimidazole by using electrospray ionization mass spectrometry.

Chemistry 11(4) , 1157-62, (2005)

Electrospray ionization mass spectrometry (ESI-MS) was used to investigate noncovalent complexes formed between four novel polyamides containing N-methylpyrrole (Py) and N-methylimidazole (Im), and hu...