Methyl 2-(chloromethyl)pyridine-3-carboxylate

HCID 19081344CAS 177785-14-7

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Basic information

Standard SMILES: COC(=O)c1cccnc1CCl
InChIKey: AMIVNKVBDFJAFD-UHFFFAOYSA-N
Molecular formula: C8H8ClNO2
Average molar mass: 185.61 g/mol
Monoisotopic mass: 185.02435618

Names & identifiers

Preferred name: Methyl 2-(chloromethyl)pyridine-3-carboxylate
IUPAC: methyl 2-(chloromethyl)pyridine-3-carboxylate
English name: Methyl 2-(chloromethyl)nicotinate
Molecular formula: C8H8ClNO2
Molecular weight: 185.61

Names & synonyms

177785-14-7METHYL 2-(CHLOROMETHYL)PYRIDINE-3-CARBOXYLATEDTXSID00597889RefChem:353917DTXCID90548648862-201-7METHYL 2-(CHLOROMETHYL)NICOTINATE3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl esterMFCD106994382-Chloromethyl-nicotinic acid methyl ester2-Chloromethyl-pyridine-3-carboxylic acid methyl ester2-(CHLOROMETHYL)NICOTINIC ACID METHYL ESTER

Show more names

Methyl 2-(chloromethyl)nicotinate - [M70459]METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH

SCHEMBL242591methyl (chloromethyl)nicotinatemethyl2-(chloromethyl)nicotinateSCHEMBL29363643AMIVNKVBDFJAFD-UHFFFAOYSA-NMethyl 2-(chloroomethyl)nicotinateCHA78514AKOS006303203

Database identifiers

CAS: 177785-14-7
PubChem CID: 19081344
DTXSID: DTXSID00597889
EC Number: 862-201-7

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 279.4 · 279.4±30.0 °C(Predicted)
Density: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 1.67 · 1.67±0.22(Predicted)
Appearance: Colorless to off-white Solid-liquid mixture
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 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

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H314
Precautionary statements: P261-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

UsesMethyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.