Methyl 2-chloro-5-methylnicotinate
Basic information
- CAS
65169-43-9- Standard SMILES
COC(=O)c1cc(C)cnc1Cl- InChIKey
FOKUGIKLNXFRTI-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- Methyl 2-chloro-5-methylnicotinate
- IUPAC
- methyl 2-chloro-5-methylpyridine-3-carboxylate
- English name
- 2-Chloro-5-methyl-nicotinic acid methyl ester
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
Methyl 2-chloro-5-methylnicotinate65169-43-9DTXSID80469797RefChem:354197DTXCID70420615856-558-8methyl 2-chloro-5-methylpyridine-3-carboxylate2-CHLORO-5-METHYL-NICOTINIC ACID METHYL ESTERMFCD07375372methyl2-chloro-5-methylnicotinateSCHEMBL3732128methyl 2-chloro-5-methyl
Show more names
3-Pyridinecarboxylic acid, 2-chloro-5-methyl-, methyl ester
methyl 2-chloro-5-methylnicotinoateQCA16943AKOS006287517AB41818SY110332TS-02586DB-0322272-chloro-5-methylnicotinic acid methyl ester
Database identifiers
- CAS
65169-43-9- PubChem CID
- 11636946
- DTXSID
DTXSID80469797- EC Number
- 856-558-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 270.1 · 270.1±35.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- -0.99 · -0.99±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)7(9)10-4-5/h3-4H,1-2H3
- InChIKey
- FOKUGIKLNXFRTI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cc(C)cnc1Cl
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
6 records
Compound notes
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