Basic information
- Standard SMILES
Cc1cncc(C)c1- InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-N- Molecular formula
- C7H9N
- Average molar mass
- 107.15 g/mol
- Monoisotopic mass
- 107.07349929
Names & identifiers
- Preferred name
- 3,5-Dimethylpyridine
- IUPAC
- 3,5-dimethylpyridine
- English name
- 3,5-Lutidine
- Molecular formula
- C7H9N
- Molecular weight
- 107.15
Names & synonyms
Show more names
Database identifiers
- CAS
591-22-0- PubChem CID
- 11565
- DTXSID
DTXSID5052254- UNII
- 6Q4YPZ045V
- EC Number
- 209-708-6
- Nikkaji
- J6.756C
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 62
Experimental & physicochemical properties
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Kovats Retention Index
957.7;947.4;963;963;964;952;954;974;957;965;972;987;951;951;917;924.4
980;970;978.9;980.5;963.5;961.4;966;967.7;155.01
1410;1415;1419;1391;1390;1414;1400;1405;1408;1408;1410
Physicochemical properties
- Melting point
- -9 °C · -9 °C (lit.)
- Boiling point
- 169 · 169-170 °C (lit.)
- Density
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- vapor pressure
- 1.5 mm · 1.5 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.504(lit.)
- FLAVIS Number
- 14.106 · 14.106 | 3,5-Dimethylpyridine
- Flash point
- 128 °F · 128 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 6.15 · 6.15(at 25℃)
- color
- Clear yellow
- Water Solubility
- 33 g/L · 33 g/L (20 ºC)
- Specific Heat Capacity
- 1.72 J/ · Cp(liquid): 1.72 J/(g·K), at 25℃
- Sensitive
- Hygroscopic
- BRN
- 105682 · 105682
- Henry's Law Constant
- 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
- InChI
- 1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
- InChIKey
- HWWYDZCSSYKIAD-UHFFFAOYSA-N
- SMILES
- Cc1cncc(C)c1
- LogP
- 1.78 · 1.780
- CAS DataBase Reference
- 591 · 591-22-0(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- 3 · 3,5-DIMETHYLPYRIDINE
- FDA 21 CFR
- 177.152 · 177.1520
- FDA UNII
- 6 Q4YPZ045V · 6Q4YPZ045V
- NIST Chemistry Reference
- 3 · Pyridine, 3,5-dimethyl-(591-22-0)
- EPA Substance Registry System
- 3 · 3,5-Dimethylpyridine (591-22-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H313-H315-H319-H226
- Precautionary statements
- 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F,Xi,T
- Risk Statements
- 10 · 10-20/21/22-36/37/38-41-34-23/25-21
- Safety Statements
- 16 · 16-26-36-36/37-45-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- F
- 8 · 8
- Hazard Note
- Irritant/Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29333999 · 29333999
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation];H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Pyridine, 3,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%);Acute Tox. 3 (71.8%);Acute Tox. 4 (28.2%);Acute Tox. 3 (48.3%);Acute Tox. 4 (51%);Skin Corr. 1B (32.2%);Skin Irrit. 2 (67.8%);Skin Sens. 1B (10.7%);Eye Dam. 1 (96%);Acute Tox. 2 (10.7%);Acute Tox. 3 (24.2%);Acute Tox. 4 (63.8%);STOT SE 3 (77.2%)
Regulatory information
Regulatory Information
Chemical: Pyridine, 3,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29333999
- risk_code
- 10-20/21/22-36/37/38-41-34-23/25-21
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F,Xi,T
- hazard_note
- Irritant/Flammable
- safety_code
- 16-26-36-36/37-45-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H302-H313-H315-H319-H226
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
Chemistry & industry
Uses & manufacturing
Applications
Uses3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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