3-bromo-N,N-dimethylbenzamide

HCID 3335826

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Basic information

CAS: 24167-51-9
Standard SMILES: CN(C)C(=O)c1cccc(Br)c1
InChIKey: CGEIMYMVLYZNRJ-UHFFFAOYSA-N
Molecular formula: C9H10BrNO
Average molar mass: 228.09 g/mol
Monoisotopic mass: 226.99457604

Names & identifiers

Preferred name: 3-bromo-N,N-dimethylbenzamide
IUPAC: 3-bromo-N,N-dimethylbenzamide
English name: 3-bromo-N,N-dimethylbenzamide
Molecular formula: C9H10BrNO
Molecular weight: 228.09

Names & synonyms

3-bromo-N,N-dimethylbenzamide24167-51-9DTXSID50391576RefChem:499190DTXCID00342437892-560-5N,N-Dimethyl 3-bromobenzamideBenzamide, 3-bromo-N,N-dimethyl-MFCD01215179SCHEMBL1368532SCHEMBL7574364SCHEMBL29852161

Show more names

3-bromo-N,N-dimethylbenzamide(SALTDATA: FREE)

ZAA16751UKRORGSYN-BB BBV-064760AKOS000170237FS-4650SB80051BP-21302DA-07776SY123006

Database identifiers

CAS: 24167-51-9
PubChem CID: 3335826
DTXSID: DTXSID50391576
EC Number: 892-560-5

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 322.3 · 322.3±25.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: -1.9 · -1.90±0.70(Predicted)
Appearance: White to off-white Solid
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.