Basic information
- CAS
27175-64-0- Standard SMILES
Cc1cccnc1C- InChIKey
HPYNZHMRTTWQTB-UHFFFAOYSA-N- Molecular formula
- C7H9N
- Average molar mass
- 107.15 g/mol
- Monoisotopic mass
- 107.07349929
Names & identifiers
- Preferred name
- 2,3-Lutidine
- IUPAC
- 2,3-dimethylpyridine
- English name
- 2,3-Lutidine
- Molecular formula
- C7H9N
- Molecular weight
- 107.15
Names & synonyms
2,3-Lutidine2,3-DIMETHYLPYRIDINE583-61-9Pyridine, 2,3-dimethyl-5Q0F649H6GNSC 2157NSC-2157EINECS 209-514-1AI3-24280DTXSID60603952,3dimethylpyridinePyridine, 2,3dimethyl
Show more names
LUT23L3-Lutidine2,3-Lutidine>2,3-Lutidine 99%2,3-Lutidine,99%2,3-LUTIDINE 98+%
RefChem:4426072,3-Lutidine (8CI)DTXCID1042360209-514-1InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2HDIMETHYLPYRIDINE2,3-dimethyl-pyridine27175-64-0
Database identifiers
- CAS
27175-64-0、583-61-9- PubChem CID
- 11420
- DTXSID
DTXSID6060395- ChEMBL
CHEMBL3303914- UNII
- 5Q0F649H6G
- EC Number
- 209-514-1、248-287-3
- Nikkaji
- J7.444F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Melting point
- -15 °C · -15 °C (lit.)
- Boiling point
- 162 · 162-163 °C (lit.)
- Density
- 0.945 g/mL · 0.945 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.508(lit.)
- FLAVIS Number
- 14.103 · 14.103 | 2,3-Dimethylpyridine
- Flash point
- 122 °F · 122 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6.57 · 6.57(at 25℃)
- form
- Liquid
- color
- Clear colorless to slightly yellow
- Water Solubility
- 95 g/L · 95 g/L (26 ºC)
- Specific Heat Capacity
- 1.77 J/ · Cp(liquid): 1.77 J/(g·K), at 25℃
- BRN
- 106418 · 106418
- Henry's Law Constant
- 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
- InChI
- 1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
- InChIKey
- HPYNZHMRTTWQTB-UHFFFAOYSA-N
- SMILES
- CC1=C(N=CC=C1)C
- LogP
- 1.638 · 1.638 (est)
- Indirect Additives used in Food Contact Substances
- 2 · 2,3-DIMETHYLPYRIDINE
- CAS DataBase Reference
- 583 · 583-61-9(CAS DataBase Reference)
- FDA 21 CFR
- 177.152 · 177.1520
- FDA UNII
- 5 Q0F649H6G · 5Q0F649H6G
- NIST Chemistry Reference
- 2 · Pyridine, 2,3-dimethyl-(583-61-9)
- EPA Substance Registry System
- 2 · 2,3-Dimethylpyridine (583-61-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F,Xi
- Risk Statements
- 10 · 10-22-37/38-41-20/21/22-36/37/38
- Safety Statements
- 16 · 16-26-39-36/37-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29333990 · 29333990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29333990
- risk_code
- 10-22-37/38-41-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn,F,Xi
- safety_code
- 16-26-39-36/37-36/37/39
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H302-H315-H318-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Description2,3-Lutidine belongs to the pyridine group of derivatives and is a commercially available organic reagent used as an intermediate in organic synthesis and as an acid-binding agent. It is also used as a food additive for flavouring purposes.
Uses2,3-Lutidine is a lansoprazole intermediates. It is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionLOTUS: 2,3-Lutidine is a natural product found in Nicotiana tabacum with data available.
Related reactions
71 records
Compound notes
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