2-Bromo-5-methoxybenzamide

HCID 2728705

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Basic information

CAS: 99848-43-8
Standard SMILES: COc1ccc(Br)c(C(N)=O)c1
InChIKey: CMTKLJYDFPAPJS-UHFFFAOYSA-N
Molecular formula: C8H8BrNO2
Average molar mass: 230.06 g/mol

Names & identifiers

Preferred name: 2-Bromo-5-methoxybenzamide
IUPAC: 2-bromo-5-methoxybenzamide
English name: 2-Bromo-5-methoxybenzamide, 98
Molecular formula: C8H8BrNO2
Molecular weight: 230.06

Names & synonyms

2-bromo-5-methoxybenzamide99848-43-8Benzamide, 2-bromo-5-methoxy-MFCD002083362-bromo-5-methoxy-benzamideSCHEMBL3341574CMTKLJYDFPAPJS-UHFFFAOYSA-NZDA84843SBB039990AKOS000271210AS-60014CS-0302587

Show more names

2-Bromo-5-methoxybenzamide, 98

ST50165581EN300-61038H54249Z33545388F3173-0035

Database identifiers

CAS: 99848-43-8
PubChem CID: 2728705
EC Number: 677-524-7
Nikkaji: J340.484F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 159 · 159-161℃
Boiling point: 296.2 · 296.2±30.0 °C(Predicted)
Density: 1.551 · 1.551±0.06 g/cm3(Predicted)
pka: 15.17 · 15.17±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.