CAS 7169-97-3 2-Acetamido-5-bromopyridine (HCID 293097)

Names & identifiers

Preferred name: 2-Acetamido-5-bromopyridine
IUPAC: N-(5-bromo-2-pyridinyl)acetamide
English name: 2-Acetylamino-5-bromopyridine
Molecular formula: C7H7BrN2O
Molecular weight: 215.05

Names & synonyms

2-Acetamido-5-bromopyridineDTXSID80303622RefChem:462754DTXCID10254754626-709-07169-97-3n-(5-bromopyridin-2-yl)acetamide2-Acetylamino-5-bromopyridineMFCD00468968N-(5-bromo-2-pyridyl)acetamideN-(5-bromo-2-pyridinyl)acetamiden-(5-bromo-pyridin-2-yl)-acetamide

Show more names

SKL8732-Acetamido-5-bromopyridine >N-(5-BROMO-PYRIDIN-2-YL)-ACETAMIDE2-Acetylamino-5-bromopyridine, 98%2-ACETYLAMINO-5-BROMOPYRIDINE, PURISS, 98%JR-8242, 2-Acetylamino-5-bromopyridine, 97%

Acetamide, N-(5-bromo-2-pyridinyl)-N-ACETYLAMINO-5-BROMOPYRIDINENSC159406SCHEMBL356367SCHEMBL29883001N-(5-bromopyrid-2-yl)acetamideN-(5bromo-2-pyridinyl)acetamiden-(5-bromo-pyridin-2-yl)acetamide

Database identifiers

CAS: 7169-97-3
PubChem CID: 293097
DTXSID: DTXSID80303622
EC Number: 626-709-0
Nikkaji: J454.766G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 175 · 175-179 °C (lit.)
Boiling point: 372.2 · 372.2±27.0 °C(Predicted)
Density: 1.63 · 1.630±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 12.94 · 12.94±0.70(Predicted)
color: White to Light yellow
InChI: 1S/C7H7BrN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey: MJFCOXATGBYERZ-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(Br)cn1
CAS DataBase Reference: 7169 · 7169-97-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,T
Risk Statements: 22 · 22-36/37/38-43-40
Safety Statements: 26 · 26-36/37/39-22
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 22-36/37/38-43-40
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,T
safety_code: 26-36/37/39-22
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Acetamido-5-bromopyridine is a chemical reagent used in the synthesis of novel Bcr-Abl inhibitors with diacylated piperazine felxible linkers. Also used to produce hetero-monocyclic derivatives as even more potent inhibitors of BCR-ABL.