3,5-Dimethylpyridine

HCID 11565CAS 591-22-0

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

3,5-DIMETHYLPYRIDINE3,5-Lutidine591-22-0Pyridine, 3,5-dimethyl-DTXSID50522546Q4YPZ045VNSC-60736DTXCID0030825RefChem:91617209-708-63,5-dimethyl-pyridineMFCD00006404
Show more names
35LLutidine,98%3,5-Lutidine>3,5-Lutidine,99%3,5-LUTIDINE, 98+%3,5-Dimetylpyridine3,5-dimethyl-pyridin
3,5-Dimethylpyridine; NSC 607363,5-LutdcineNicotine Impurity 6UNII-6Q4YPZ045V3,5 lutidineNSC60736EINECS 209-708-6NSC 60736

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

Experimental & physicochemical properties

Vapor Pressure1.74 [mmHg]
Physical Description · 2 items

Liquid

Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]

Kovats Retention Index · 3 items

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 5 items

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

Hazards SummaryA skin and strong eye irritant; Toxic by ingestion and inhalation; Harmful by skin absorption; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and Categories · 1 item

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 · 5 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb;2022: 75,000 - <500,000 lb;2021: 1,000,000 - <8,500,000 lb;2020: 500,000 - <1,000,000 lb
General Manufacturing InformationPyridine, 3,5-dimethyl-: ACTIVE

Applications

Uses3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州科益化工有限公司519-81882581 18602584369 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

58 records

Linked notes

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