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3,4-Dimethylpyridine

3,4-Dimethylpyridine structure

CAS No:
583-58-4
Formula:
C7H9N
Chemical Name:
3,4-Dimethylpyridine
Synonyms:
Pyridine,3,4-dimethyl-;3,4-Lutidine;3,4-Dimethylpyridine;NSC 4675
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear yellow to brownish liquid

3,4-Dimethylpyridine Basic Attributes

Molecular Weight：

107.15

Exact Mass：

107.15

BRN：

106583

EC Number：

209-511-5

UNII：

FCU895KJ7H

NSC Number：

4675

DSSTox ID：

DTXSID1052244

HScode：

29333999

Characteristics

PSA：

12.9

XLogP3：

1.69840

Appearance：

yellow

Density：

0.9537 g/cm³ @ Temp: 26 °C

Melting Point：

-11 °C

Boiling Point：

179.1 °C

Flash Point：

129 °F

Refractive Index：

n20/D 1.511(lit.)

Water Solubility：

52 g/L (20 ºC)

Storage Conditions：

Flammables area

Vapor Pressure：

1.24 mmHg

Toxicity：

Oral-Rat LD50: 667 mg/kg

Flammability characteristics：

Combustible in case of fire, high temperature and strong oxidant; decomposes toxic nitrogen oxide gas at high temperature

Henrys Law Constant：

3.70e-06 atm-m3/mole

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2929 6.1/PG 2

wgk germany：

hazard class code：

10-23/24/25-36/37/38-24-20/22-23/24-22

safety instructions：

16-26-36/37/39-45

RTECS Number：

OK9800000

Marks：

T,F,Xi

Storage features：

Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant

Precautionary statement(s)：

P261-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378-P403 + P233

Hazard Statements：

H226-H302-H311 + H331-H315-H319-H335

GHS Classification：

|Danger|H226 (97.83%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P310, P301+P312, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

3,4-Dimethylpyridine Use and Manufacturing

Manufacturing Info：

Pyridine, 3,4-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:107.15
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Exact Mass:107.073499291
Monoisotopic Mass:107.073499291
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:70.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes