3,4-Dimethylpyridine

HCID 11417CAS 583-58-4

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccncc1C
InChIKey: NURQLCJSMXZBPC-UHFFFAOYSA-N
Molecular formula: C7H9N
Average molar mass: 107.15 g/mol
Monoisotopic mass: 107.07349929

Names & identifiers

Preferred name: 3,4-Dimethylpyridine
IUPAC: 3,4-dimethylpyridine
English name: 3,4-Lutidine
Molecular formula: C7H9N
Molecular weight: 107.15

Names & synonyms

3,4-Lutidine3,4-DIMETHYLPYRIDINEPyridine, 3,4-dimethyl-UNII-FCU895KJ7HNSC 4675EINECS 209-511-5FCU895KJ7H3,4-LutideneBRN 0106583NSC-4675DTXSID10522445-20-06-00054 (Beilstein Handbook Reference)

Show more names

34L4-Lutidine3,4-Lutidine98%(T)3,4-Lutidine3,4-LUTIDINE 98%AKOS BBS-000043914-DiMethylpyridine

3,4lutidine3,4Dimethylpyridin3,4DimetilpiridinaPyridine, 3,4dimethylRefChem:91225DTXCID6030815UN2929InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H

Database identifiers

CAS: 583-58-4
PubChem CID: 11417
DTXSID: DTXSID1052244
UNII: FCU895KJ7H
EC Number: 209-511-5
Nikkaji: J7.443H

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 70.8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Flavoring AgentsEU Flavoring substances

Vapor Pressure1.24 [mmHg]

Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionColorless to light yellow liquid; [Jubilant Life Sciences MSDS]

Physicochemical properties

Melting point: -12 °C · -12 °C
Boiling point: 163 · 163-164 °C(lit.)
Density: 0.954 g/mL · 0.954 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.511(lit.)
FLAVIS Number: 14.105 · 14.105 | 3,4-Dimethylpyridine
Flash point: 129 °F · 129 °F
storage temp.: Flammables area
pka: 6.46 · 6.46(at 25℃)
form: clear liquid
color: yellow
Water Solubility: 52 g/L · 52 g/L (20 ºC)
Specific Heat Capacity: 1.79 J/ · Cp(liquid): 1.79 J/(g·K), at 25℃
Sensitive: Hygroscopic
BRN: 106583 · 106583
Henry's Law Constant: 2.7 · 2.7×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 11.47 · 11.470000000000001
LogP: 1.749 · 1.749 (est)
CAS DataBase Reference: 583 · 583-58-4(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: 3 · 3,4-DIMETHYLPYRIDINE
FDA 21 CFR: 177.152 · 177.1520
EWG's Food Scores: 1 · 1
FDA UNII: 895 KJ7H · FCU895KJ7H
NIST Chemistry Reference: 3 · Pyridine, 3,4-dimethyl-(583-58-4)
EPA Substance Registry System: 3 · 3,4-Dimethylpyridine (583-58-4)
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 310 · H310-H302-H315-H319-H226
Precautionary statements: 501 · P501-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235-P405
Hazard Codes: T,F,Xi
Risk Statements: 10 · 10-23/24/25-36/37/38-24-20/22-23/24-22
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 2929 · UN 2929 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 9800000 · OK9800000
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29333999 · 29333999
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Pyridine, 3,4-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3,4-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion and inhalation; Toxic by skin absorption; [Jubilant Life Sciences MSDS] See Pyridine.

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

Toxicology

Toxicity DataLCLo (rat) = 500 ppm/4hr

Safety data

wgk: 3
tsca: TSCA listed
rtecs: OK9800000
ridadr: UN 2929 6.1/PG 2
hs_code: 29333999
risk_code: 10-23/24/25-36/37/38-24-20/22-23/24-22
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T,F,Xi
safety_code: 16-26-36/37/39-45
hazard_class: 6.1
packing_group: II
Hazard statements: H310-H302-H315-H319-H226
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P501-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235-P405

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate in drug manufacture; [Jubilant Life Sciences MSDS]

General Manufacturing InformationPyridine, 3,4-dimethyl-: ACTIVE

Applications

Uses3,4-Lutidine is used as an intermediate in the preparation of active pharmaceutical ingredient. It is used to prepare tetrhydropyridine derivatives by reduction.