N-Bromoacetamide

C₂H₄BrNOCAS 79-15-2137.96 g/mol

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Properties

Molecular formula: C₂H₄BrNO
Molar mass: 137.96 g/mol
Exact mass: 136.9476 Da
Melting point: 103.5 °C
Boiling point: 127–130 °C (at 16 Torr)
Water solubility: ≥ 100 g/L (22.2 °C)
logP: 1.27Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

79-15-2

SMILES

CC(O)=NBr

InChIKey

VBTQNRFWXBXZQR-UHFFFAOYSA-N

InChI

InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Acetamide, N-bromo-
Acetobromamide
NBA

Reactions

N-BROMOACETAMIDE (Acetamide, N-bromo-)product

Work with N-Bromoacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Diacetylhydrazine3148-73-050 % similar N-(Hydroxymethyl)acetamide625-51-445 % similar Acetohydroxamic acid546-88-345 % similar N-Methylacetamide79-16-345 % similar Acetohydrazide1068-57-143 % similar N,N'-Diacetylethylenediamine871-78-343 % similar Trimethylsilylacetamide13435-12-641 % similar Acetanilide103-84-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bromoacetamide683-57-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook