2-Acetamido-5-bromo-6-methylpyridine

HCID 954589CAS 142404-84-0

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Basic information

Standard SMILES: CC(=O)Nc1ccc(Br)c(C)n1
InChIKey: LDBWQGWJCPCZIN-UHFFFAOYSA-N
Molecular formula: C8H9BrN2O
Average molar mass: 229.07 g/mol
Monoisotopic mass: 227.98982501

Names & identifiers

Preferred name: 2-Acetamido-5-bromo-6-methylpyridine
IUPAC: N-(5-bromo-6-methyl-2-pyridinyl)acetamide
English name: 2-Acetylamino-5-bromo-6-methylpyridine
Molecular formula: C8H9BrN2O
Molecular weight: 229.07386

Names & synonyms

2-ACETAMIDO-5-BROMO-6-METHYLPYRIDINEN-(5-bromo-6-methyl-2-pyridinyl)acetamideRefChem:462752622-850-7142404-84-0N-(5-bromo-6-methylpyridin-2-yl)acetamide2-Acetylamino-5-bromo-6-methylpyridine2-Acetamido-5-bromo-6-picolineMFCD03909755N-(5-Bromo-6-methyl-2-pyridyl)acetamideN-(5-bromo-6-methyl-pyridin-2-yl)-acetamideSCHEMBL1269767

Show more names

6-Acetamido-3-bromo-ALPHA-picoline6-Acetamido-3-bromo-2-methylpyridine2-Acetamido-5-bromo-6-methylpyridine98%2-Acetamido-5-bromo-6-methylpyridine 98%2-Acetylamino-5-bromo-6-methylpyridine ,97%Acetamide, N-(5-bromo-6-methyl-2-pyridinyl)-

DTXSID30359270LDBWQGWJCPCZIN-UHFFFAOYSA-NSTK121018AKOS003210914AB16850CCG-339930PS-3464SY065375

Database identifiers

CAS: 142404-84-0
PubChem CID: 954589
DTXSID: DTXSID30359270
EC Number: 622-850-7
Nikkaji: J454.770E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 154 · 154-158 °C (lit.)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow
InChI: 1S/C8H9BrN2O/c1-5-7(9)3-4-8(10-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChIKey: LDBWQGWJCPCZIN-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(Br)c(C)n1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H334-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P342+P311
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-42/43
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29333990
risk_code: 22-37/38-41-42/43
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H317-H318-H334-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P342+P311

Chemistry & industry

Applications

Uses2-Acetylamino-5-bromo-6-methylpuridine is used to prepare palladium-catalyzed cross-coupling reactions of pyridylboronic acids with heteroaryl halides.