Cas no 29681-44-5 (methyl 5-bromopyridine-3-carboxylate)

methyl 5-bromopyridine-3-carboxylate structure
29681-44-5 structure
Product Name:methyl 5-bromopyridine-3-carboxylate
CAS No:29681-44-5
MF:C7H6BrNO2
MW:216.032041072845
MDL:MFCD00173668
CID:53510
PubChem ID:699336
Update Time:2024-10-30

methyl 5-bromopyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromonicotinate
    • 5-BROMO NICOTINIC ACID METHYL ESTER
    • 5-BROMOPYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
    • BUTTPARK 37\04-20
    • METHYL 3-BROMO-5-PYRIDINECARBOXYLATE
    • METHYL 5-BROMOPYRIDINE-3-CARBOXYLATE
    • 5-Bromonictinic acid ethyl ester
    • 5-BROMONICOTIC ACID METHYL ESTER
    • 5-Bromonicotinic acid methyl ester, 5-Bromopyridine-3-carboxylic acid methyl ester, Methyl 5-bromonicotinate
    • 3-(Methoxycarbonyl)-5-bromopyridine
    • 3-bromo-5-pyridinecarboxylic acid methyl ester
    • 3-methoxycarbonyl-5-bromo-pyridine
    • 5-bromo-3-pyridine carboxylic acid methyl ester
    • methyl 5-bromo-3-pyridinecarboxylate
    • methyl-5-bromnicotinat
    • methyl-5-bromonicotinate
    • 5-Bromonicotinic Acid Methyl Ester
    • 5-Bromo-3-pyridinecarboxylic Acid Methyl Ester
    • FT-0628848
    • 5-bromo-nicotinic acid methyl ester
    • methyl 5-bromo-nicotinate
    • methyl-5-bromopyridine-3-carboxylate
    • F1916-7021
    • 29681-44-5
    • AAJZXPWBILCHAW-UHFFFAOYSA-N
    • 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, METHYL ESTER
    • MS-3710
    • Maybridge3_004992
    • Z18390143
    • Methyl 5-bromopyridine-3-carboxylate, 97%
    • STR08069
    • CS-W007467
    • PB10112
    • SY005317
    • MFCD00173668
    • AKOS000265039
    • methyl-5-bromo-pyridine-3-carboxylate
    • IDI1_016379
    • M2008
    • AC-7244
    • HMS1445C20
    • RB1030
    • CCG-251767
    • 3-Bromo-5-methoxycarbonylpyridine
    • Q-101238
    • EN300-133021
    • DTXSID70351394
    • AM20051048
    • SCHEMBL309752
    • Methyl 5-bromonicotinate,98%
    • ALBB-019944
    • DB-013121
    • methyl 5-bromopyridine-3-carboxylate
    • MDL： MFCD00173668
    • Inchi： 1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
    • InChI Key： AAJZXPWBILCHAW-UHFFFAOYSA-N
    • SMILES： BrC1=CN=CC(C(=O)OC)=C1

Computed Properties

  • Exact Mass: 214.95800
  • Monoisotopic Mass: 214.958
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.4
  • Topological Polar Surface Area: 39.2A^2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.579
  • Melting Point: 96-100?°C
  • Boiling Point: 241.7℃ at 760 mmHg
  • Flash Point: 100℃
  • Refractive Index: 1.553
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 39.19000
  • LogP: 1.63070
  • Solubility: Not determined

methyl 5-bromopyridine-3-carboxylate Security Information

  • Symbol: GHS05 GHS07
  • Prompt：warning
  • Signal Word：Danger
  • Hazard Statement： H315-H318-H335
  • Warning Statement： P261-P280-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 37/38-41
  • Safety Instruction： S26-S39-S37/39
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：Store at room temperature
  • Safety Term：S26;S37/39
  • Risk Phrases：R36/37/38

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