CAS 180340-70-9 Methyl 6-amino-5-bromonicotinate (HCID 2764099)

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Basic information

CAS: 180340-70-9
Standard SMILES: COC(=O)c1cnc(N)c(Br)c1
InChIKey: LNTAAMVZKGYIIA-UHFFFAOYSA-N
Molecular formula: C7H7BrN2O2
Average molar mass: 231.049 g/mol
Monoisotopic mass: 229.96908956

Names & identifiers

Preferred name: Methyl 6-amino-5-bromonicotinate
IUPAC: Methyl 6-amino-5-bromopyridine-3-carboxylate
English name: Methyl 6-amino-5-bromonicotinate
Molecular formula: C7H7BrN2O2
Molecular weight: 231.05

Names & synonyms

Methyle6-amino-5-bromonicotinateMethyl 6-amino-5-bromonicotinateMethyl 6-amino-5-bromopyridin-3-carboxylate6-Amino-5-bromo-nicotinic acid methyl esterMETHYL 2-AMINO-3-BROMO-5-PYRIDINECARBOXYLATEMethyl 2-amino-3-bromopyridine-5-carboxylateMethyl 6-amino-5-bromopyridine-3-carboxylateMETHYL 6-AMINO-5-BROMONICOTINATE ISO 9001：2015 REACH3-Pyridinecarboxylic acid, 6-aMino-5-broMo-, Methyl ester6-amino-5-bromo-3-Pyridinecarboxylic acid methyl ester (9CI ACI)

Database identifiers

CAS: 180340-70-9
PubChem CID: 2764099
DTXSID: DTXSID00377300
EC Number: 640-110-1

Properties

Physicochemical properties

Melting point: 166 · 166-168
Boiling point: 323.7 · 323.7±37.0 °C(Predicted)
Density: 1.662 · 1.662±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.02 · 2.02±0.49(Predicted)
form: Powder
color: Brown
InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChIKey: LNTAAMVZKGYIIA-UHFFFAOYSA-N
SMILES: C1=NC(N)=C(Br)C=C1C(OC)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990