2-Bromopyridine 1-oxide

HCID 300057

Notes Reactions

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Basic information

CAS: 14305-17-0
Standard SMILES: [O-][n+]1ccccc1Br
InChIKey: NJCMNBWUKHLGIC-UHFFFAOYSA-N
Molecular formula: C5H4BrNO
Average molar mass: 174 g/mol
Monoisotopic mass: 172.94762585

Names & identifiers

Preferred name: 2-Bromopyridine 1-oxide
IUPAC: 2-bromo-1-oxidopyridin-1-ium
English name: 2-Bromopyridine N-oxide
Molecular formula: C5H4BrNO
Molecular weight: 174

Names & synonyms

2-Bromopyridine 1-oxide14305-17-02-Bromopyridine N-oxide2-bromo-1-oxidopyridin-1-ium2-Bromopyridine-1-oxide2-Bromopyridine-N-oxidePyridine, 2-bromo-, 1-oxideMFCD056637052-Bromopyridine1-oxideNEJ3BM17KCalpha-Bromopyridine N-oxideNSC-174129

Show more names

NSC 1741292-broMopyridine-1-O×ide2-2-Bromopyridine N-oxideNicotinic Acid Impurity 14Pyridine, 2-broMo-,1-oxide

2-BROMOPYRIDINE OXIDENSC174129UNII-NEJ3BM17KCSCHEMBL14252016-BROMOPYRIDINE-N-OXIDEDTXSID80306113NJCMNBWUKHLGIC-UHFFFAOYSA-N.ALPHA.-BROMOPYRIDINE N-OXIDE

Database identifiers

CAS: 14305-17-0
PubChem CID: 300057
DTXSID: DTXSID80306113
UNII: NEJ3BM17KC
Nikkaji: J231.931D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 25.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Boiling point: 336.2 · 336.2±15.0 °C(Predicted)
Density: 1.66 · 1.66±0.1 g/cm3(Predicted)
pka: -0.76 · -0.76±0.10(Predicted)
InChI: InChI=1S/C5H4BrNO/c6-5-3-1-2-4-7(5)8/h1-4H
InChIKey: NJCMNBWUKHLGIC-UHFFFAOYSA-N
SMILES: C1(Br)[N+]([O-])=CC=CC=1
FDA UNII: 3 BM17KC · NEJ3BM17KC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2,6-Dibromopyridine oxide 2-Bromopyridine Pyridine-N-oxide MERCURIC ACETATE Acetic acid

Downstream products

4-Amino-2-bromopyridine 2-Bromo-4-methoxypyridine 2-Bromo-4-cyanopyridine 2-Bromo-4-iodopyridine

Suppliers47 total

河北凡博医药科技有限公司15588346797

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

9 records

New reaction record

HRID 294516 reaction equation

HRID 294516As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 583122 reaction equation

HRID 583122As reactantuspto-grants-1999_07

HRID 817084 reaction equation

HRID 817084As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 829550 reaction equation

HRID 829550As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 956306 reaction equation

HRID 956306As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1150303 reaction equation

HRID 1150303As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1552397 reaction equation

HRID 1552397As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1555242 reaction equation

HRID 1555242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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