CAS 18469-37-9 4-bromo-N,N-dimethylbenzamide (HCID 140389)

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Basic information

CAS: 18469-37-9
Standard SMILES: CN(C)C(=O)c1ccc(Br)cc1
InChIKey: BRRVYBRXLUEEJP-UHFFFAOYSA-N
Molecular formula: C9H10BrNO
Average molar mass: 228.09 g/mol
Monoisotopic mass: 226.99457604

Names & identifiers

Preferred name: 4-bromo-N,N-dimethylbenzamide
IUPAC: 4-bromo-N,N-dimethylbenzamide
English name: 4-Bromo-N,N-dimethylbenzamide
Molecular formula: C9H10BrNO
Molecular weight: 228.09

Names & synonyms

4-bromo-N,N-dimethylbenzamide18469-37-9benzamide, 4-bromo-N,N-dimethyl-N,N-Dimethyl p-bromobenzamideDTXSID00171608RefChem:520401DTXCID8094099811-669-0InChI=1/C9H10BrNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2HN,N-Dimethyl-4-bromobenzamideMFCD004636964-Bromo-N,N-dimethyl-benzamide

Show more names

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

N,N-Dimethyl 4-bromobenzamidep-Bromobenzoyldimethylamidep-Bromo-N,N-dimethylbenzamide4-Bromo-N,N-dimethylbenzamide, AldrichCPREN300-1910898p-bromobenzoyldimethylamineBB 0259515CBMicro_012074

Database identifiers

CAS: 18469-37-9
PubChem CID: 140389
DTXSID: DTXSID00171608
EC Number: 811-669-0
Nikkaji: J1.067.637A

Properties

Computed structural properties

XLogP: 1.7
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: 162

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.83

Physicochemical properties

Melting point: 76 · 76-79 °C
Boiling point: 320.9 · 320.9±25.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: -1.42 · -1.42±0.70(Predicted)
color: Off White
InChI: 1S/C9H10BrNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKey: BRRVYBRXLUEEJP-UHFFFAOYSA-N
SMILES: CN(C)C(=O)c1ccc(Br)cc1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.