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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 7304Generated: October 23, 2026

1-Methylpyrrole

1-methyl-1h-pyrrole · N-METHYLPYRROLE · METHYLPYRROLE · 1-METHYLPYRROLE · N-Methylpyrrol · Pyrrole, 1-methyl- · 1H-pyrrole,1-methyl- · 1-Methylpyrrol

https://huagongshe.com/en/chemical/7304

1-Methylpyrrole molecular structure

Identifiers & Physical Properties

CAS No.27417-39-6
Molecular formulaC5H7N
Average molar mass81.12 g/mol
Monoisotopic mass81.05784922 g/mol
SMILESCn1cccc1
InChIKeyOXHNLMTVIGZXSG-UHFFFAOYSA-N
PubChem CID7304
ChEMBLCHEMBL1234459
ChEBICHEBI:89012
EC No.202-513-7
DTXSIDDTXSID3052648

Chemical & Physical Properties

XLogP1.2
Topological polar surface area4.9
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds0
Heavy atoms6
Formal charge0
Complexity37.2
Chemical classesNitrogen Compounds -> Pyrroles
SpringerMaterials PropertiesSchoenflies notation
LogP (partition coefficient)1.211.15
Density0.9145 @ 15°C0.914 g/mL at 25 °C (lit.)
Flash point16 °C59 °F
Boiling pointThe Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C112.00 to 113.00 °C. @ 760.00 mm Hg112.81 °C @760 [mm Hg]112-113 °C (lit.)
Melting point-57.00 °C. @ 760.00 mm Hg-57 °C (lit.)
Vapor pressure21.4 [mmHg]15 [mm Hg] @20.2 °C15 mm Hg ( 20.2 °C)
Physical DescriptionColorless liquid[Hawley] Bright yellow liquid[Ullmann]
Vapor density2.8 (vs air)
Refractive indexn20/D 1.489
Storage conditionsStore below +30°C.
Solubility13g/lSoluble in organic solvents such as alcohol and so on, but insoluble in water.
Physical stateliquid
pKa (acidity coefficient)-2.80±0.70(Predicted)
Coloryellow-brown
pH10.4 (10g/l, H2O, 10℃)
Odorat 1.00 % in dipropylene glycol. powerful smoky woody herbal
Odor typewoody
Biological sourcesynthetic
Explosive limits1.4-8.5%(V)
BRN104181
Henry's law constant9.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Major applicationsflavors and fragrances
InChI1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKeyOXHNLMTVIGZXSG-UHFFFAOYSA-N
SMILESCn1cccc1
LogP (partition coefficient)1.210
CAS DataBase Reference96-54-8(CAS DataBase Reference)
EWG's Food Scores1
FDA UNIING5GPN98ZG
NIST Chemistry Reference1H-Pyrrole, 1-methyl-(96-54-8)
EPA Substance Registry System1H-Pyrrole, 1-methyl- (96-54-8)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS02,GHS07
Signal wordDanger
GHS hazard statementsH225-H302-H315
GHS precautionary statementsP210-P233-P240-P241-P301+P312-P303+P361+P353
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbolsF,Xi,Xn
Risk statements (R)11-36/37/38-37/38-22
Safety statements (S)16-26-36-37-25-23
UN transport numberUN 1993 3/PG 2
Water hazard class (WGK)3
RTECS numberUX9640000
Autoignition temperature400 °C
TSCA inventory statusTSCA listed
Hazard class3Acute Tox. 4 OralFlam. Liq. 2Skin Irrit. 2
Packing groupII
Customs code29339990
Storage class3 - Flammable liquids
ToxicityLD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
Limited quantities1.0 L (0.3 gallon) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & Regulations

GHS classificationWarningH302 (89.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1523 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationChemical: 1H-Pyrrole, 1-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Methylpyrrole: Does not have an individual approval but may be used under an appropriate group standard
Hazards summaryFlammable liquid[Hawley] A skin irritant[eChemPortal: ERMA] An irritant[MSDSonline] Harmful if swallowedLD50 (rats) = 1400 mg/kgRats inhaling saturated concentration at room temperature die after 1 hourSevere mucosal irritation and narcosis were observed[Ullmann]
Hazard Classes and CategoriesAcute Tox. 4 (89.9%)
Protective Action Criteria (PAC)12 [mg/m3]130 [mg/m3]790 [mg/m3]
Adverse effectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = >5.6 mg/l/4H
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberUX9640000
UN transport numberUN 1993 3/PG 2
Customs code29339990
ToxicityLD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
Risk statements (R)11-36/37/38-37/38-22
Signal wordDanger
GHS pictogramGHS02,GHS07
Hazard symbolsF,Xi,Xn
Safety statements (S)16-26-36-37-25-23
Hazard class3Acute Tox. 4 OralFlam. Liq. 2Skin Irrit. 2
Storage class3 - Flammable liquids
Packing groupII
GHS hazard statementsH225-H302-H315
Limited quantities1.0 L (0.3 gallon) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Autoignition temperature400 °C
GHS precautionary statementsP210-P233-P240-P241-P301+P312-P303+P361+P353

Applications & Uses

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.

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.