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625-84-3

625-84-3 Structure

625-84-3 Structure
IdentificationMore
[Name]

2,5-Dimethyl-1H-pyrrole
[CAS]

625-84-3
[Synonyms]

2,5-DIMETHYL-1H-PYRROLE
2,5-DIMETHYLPYRROLE
2,5-DIMETHYPYRROLE
2,5-DMP
IFLAB-BB F1918-0031
2,5-1H-dimethylpyrrole
2,5-dimethyl-1h-pyrrol
2,5-dimethyl-pyrrol
Pyrrole, 2,5-dimethyl-
pyrrole,2,5-dimethyl-
Dimethylpyrrole
2,5-DIMETHYLPYRRAZOLE
1H-Pyrrole, 2,5-dimethyl-
BMPY/2,5-BIMETHYLPYRROL
2,5-bimethylpyrrol
2,5-DIMETHYLPYROLE
[EINECS(EC#)]

210-913-8
[Molecular Formula]

C6H9N
[MDL Number]

MFCD00005223
[Molecular Weight]

95.14
[MOL File]

625-84-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to orange-brown liquid
[Melting point ]

6.5°C
[Boiling point ]

165 °C/740 mmHg (lit.)
[density ]

0.935 g/mL at 25 °C(lit.)
[vapor pressure ]

44-490Pa at 20-50℃
[refractive index ]

n20/D 1.505(lit.)
[Fp ]

130 °F
[storage temp. ]

Refrigerator
[Water Solubility ]

Insoluble in water
[form ]

Crystalline Powder and/or Chunks
[pka]

18.46±0.50(Predicted)
[color ]

Yellow to orange-yellow
[Specific Gravity]

0.935
[InChI]

1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
[InChIKey]

PAPNRQCYSFBWDI-UHFFFAOYSA-N
[SMILES]

Cc1ccc(C)[nH]1
[LogP]

1.470
[CAS DataBase Reference]

625-84-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrrole, 2,5-dimethyl-(625-84-3)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
[Signal word ]

Danger
[Hazard statements ]

H226-H301+H311+H331-H315-H319-H335
[Precautionary statements ]

P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
[Hazard Codes ]

T,F
[Risk Statements ]

R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[RTECS ]

UX9465930
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
[Safety Profile]

When heated to decomposition emits toxic fumes of NOx
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ammonium carbonate-->Pyrrole-->2,5-Hexanedione-->PIPE
[Preparation Products]

2,4-Dimethylpyrrole-->1H-Pyrrole-3-carbonitrile,2,5-dimethyl-(9CI)-->2,5-DIMETHYL-1-PHENYLPYRROLE-->1H-Pyrrole-2,5-dicarboxylic acid-->3-CHLORO-2,6-DIMETHYLPYRIDINE-->1H-Pyrrole-1-acetic acid, 2,5-dimethyl-, methyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,5-Dimethyl-1H-pyrrole(625-84-3).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to orange-brown liquid
[Uses]

2,5-Dimethyl-1H-pyrrole is used as a spice and flavor enhancer.
[Definition]

ChEBI: 2,5-Dimethyl-1H-pyrrole is a member of pyrroles.
[Synthesis Reference(s)]

Synthetic Communications, 18, p. 167, 1988 DOI: 10.1080/00397918808077341
Synthesis, p. 1585, 2000 DOI: 10.1055/s-2000-7618
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethyl-1H-pyrrole(625-84-3)MS
2,5-Dimethyl-1H-pyrrole(625-84-3)1HNMR
2,5-Dimethyl-1H-pyrrole(625-84-3)13CNMR
2,5-Dimethyl-1H-pyrrole(625-84-3)IR1
2,5-Dimethyl-1H-pyrrole(625-84-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylpyrrole, 97%(625-84-3)
[Sigma Aldrich]

625-84-3(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylpyrrole,>98.0%(GC)(625-84-3)
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