CAS 5910-89-4|pyrazine, 2,3-dimethyl-|2,3-dimethylpyrazine|2,3-Dimethylpyrazine 99%|2,3-Dimethyl-1,4-diazine|2,3-Dimethylpyrazine|2,3-二甲基吡嗪|2,3-Dimethylpyrazine

Molecular Formula

C₆H₈N₂

Molecular Mass

108.14112

Exact Mass

108.06874827

InChI

InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3

InChIKey

OXQOBQJCDNLAPO-UHFFFAOYSA-N

Canonic Smiles

Cc1nccnc1C

Isomeric Smiles

c1(c(nccn1)C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.199414

LogD (pH = 7.4)

-0.1993594

Log P

-0.1993587

Molar Refractivity

30.9272

Polarizability

12.062446

Polar Surface Area

25.78

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

22201

IUPAC Traditional name

pyrazine, 2,3-dimethyl-

IUPAC name

2,3-dimethylpyrazine

Synonyms

2,3-Dimethylpyrazine 99%2,3-Dimethyl-1,4-diazine2,3-Dimethylpyrazine2,3-二甲基吡嗪2,3-Dimethylpyrazine

MDL Number

MFCD00006144

CAS Number

5910-89-4

Council of Europe Number

11323

Beilstein Number

107908

MSDS Link

Download link

Storage Warning

IRRITANT

Flammable/Harmful/Irritant

false

是

R:22

10-22-37/38-41

10-22-36/37/38

S:36/37/39

16-26-39

26-36/37

Room Temperature (15-30°C)

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

EU Regulation 1334/2008 & 178/2002

FCC

UN 1993 3/PG 3

1993

UN1993

P261-P280-P305+P351+P338

P280H-P305+P351+P338

H226-H302-H315-H318-H335

H226-H302-H315-H319-H335

Product Information

Physical Property

Pharmacology Properties

no known allergens

No Data Available

Click here to submit data

No Data Available

Click here to submit data

MP Biomedicals

02150948

Purity: 99%
1 ml=approx. 1.02 g

Sigma Aldrich

W327107

Packaging
1 kg in glass bottle
Packaged in glass bottles
1 sample in glass bottle
100 g in glass bottle
5, 10 kg in steel drum

199400

Packaging
10, 50 g in glass bottle

From Data Sources

• Lithiation with LDA occurs selectively on the side-chain. In a competitive study, the 2,3-dimethyl isomer was found to be attacked faster than the 2,6-isomer: J. Org. Chem., 48, 2130 (1983).

Academic Data

PubChem

22201

IUPAC Traditional name

pyrazine, 2,3-dimethyl-

IUPAC name

2,3-dimethylpyrazine

Synonyms

2,3-Dimethylpyrazine 99%2,3-Dimethyl-1,4-diazine2,3-Dimethylpyrazine2,3-二甲基吡嗪2,3-Dimethylpyrazine

MDL Number

MFCD00006144

CAS Number

5910-89-4

Council of Europe Number

Beilstein Number

Purity: 99%
1 ml=approx. 1.02 g

Sigma Aldrich

W327107

Packaging
1 kg in glass bottle
Packaged in glass bottles
1 sample in glass bottle
100 g in glass bottle
5, 10 kg in steel drum

199400

Packaging
10, 50 g in glass bottle

From Data Sources

• Lithiation with LDA occurs selectively on the side-chain. In a competitive study, the 2,3-dimethyl isomer was found to be attacked faster than the 2,6-isomer: J. Org. Chem., 48, 2130 (1983).

Safety Information

Product Information

Physical Property

Pharmacology Properties

no known allergens

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Empirical Formula (Hill Notation)

C6H8N2

Flash Point

54°C

54 °C

129.2 °F

54°C(129°F)

Refractive Index

n20/D 1.507(lit.)

1.5070

Organoleptic

almond; green; meaty; coffee

Molecule

ID:68859