2,3,5-Trimethylpyridine (HCID 12759)

Names & identifiers

Preferred name: 2,3,5-Trimethylpyridine
IUPAC: 2,3,5-trimethylpyridine
English name: 2,3,5-Collidine
Molecular formula: C8H11N
Molecular weight: 121.18

Names & synonyms

2,3,5-Trimethylpyridine695-98-72,3,5-COLLIDINEPyridine, 2,3,5-trimethyl-EINECS 211-786-133642OT638DTXSID80219734UNII-33642OT638RefChem:81413DTXCID30142225211-786-1GFYHSKONPJXCDE-UHFFFAOYSA-N

Show more names

2,3,5-TrimethyL235CO5-Collidine2,3,5-Collidine, 98%3,5-Trimethylpyridine2,3,5-Collidine, 99+%

2,3,5-Trimethyl pyridineMFCD001268402,3,5-trimethyl-pyridineEsomeprazole Impurity 92,3,5-Trimethyl-pyridinEsomeprazole Impurity 111SCHEMBL74872,3,5-Collidine, 99%

Database identifiers

CAS: 695-98-7
PubChem CID: 12759
DTXSID: DTXSID80219734
UNII: 33642OT638
EC Number: 211-786-1
Nikkaji: J45.579B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 90

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1055；1060；1045.2

1076

1484

Physicochemical properties

Melting point: -56.98 °C · -56.98°C (estimate)
Boiling point: 184 °C · 184 °C(lit.)
Density: 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.508(lit.)
Flash point: 165 °F · 165 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 6.53 · 6.53±0.20(Predicted)
form: Liquid
Specific Gravity: 0.94 · 0.94
color: Clear colorless to very slightly yellow
Water Solubility: SLIGHTLY SOLUBLE
BRN: 108832 · 108832
InChI: 1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N
SMILES: Cc1cnc(C)c(C)c1
CAS DataBase Reference: 695 · 695-98-7(CAS DataBase Reference)
FDA UNII: 33642 OT638 · 33642OT638
NIST Chemistry Reference: 2 · Pyridine, 2,3,5-trimethyl-(695-98-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,T,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 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

Hazard Classes and CategoriesAcute Tox. 4 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29333990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36-36/37
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesOmeprazole intermediate.

Uses2,3,5-Collidine is omeprazole intermediate which is the drug involved in proton pump inhibitors to block the production of stomach acid. It is used in the manufacture vitamin D3.