4-Bromo-N,N-dimethylbenzylamine

HCID 235757

Notes Reactions

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Basic information

CAS: 6274-57-3
Standard SMILES: CN(C)Cc1ccc(Br)cc1
InChIKey: RFEDQTSVZVRTGH-UHFFFAOYSA-N
Molecular formula: C9H12BrN
Average molar mass: 214.1 g/mol
Monoisotopic mass: 213.01531

Names & identifiers

Preferred name: 4-Bromo-N,N-dimethylbenzylamine
IUPAC: 1-(4-bromophenyl)-N,N-dimethylmethanamine
English name: (4-Bromobenzyl)dimethylamine
Molecular formula: C9H12BrN
Molecular weight: 214.1

Names & synonyms

4-Bromo-N,N-dimethylbenzylamineRefChem:520403815-955-66274-57-31-(4-bromophenyl)-n,n-dimethylmethanamine(4-BROMOBENZYL)DIMETHYLAMINEBenzenemethanamine, 4-bromo-N,N-dimethyl-[(4-bromophenyl)methyl]dimethylamineMFCD00032473(4-Bromo-benzyl)-dimethyl-amine4-Bromo-N,N-dimethyl-Benzenemethanamine1-(4-bromophenyl)-N,N-dimethyl-methanamine

Show more names

(4-BROMOBENZYL)DIMETHYLBENZYLAMINE(4-Bromophenyl)-N,N-dimethylmethylamine[(4-bromophenyl)methyl]dimethylamine - [AC78543]

n,n-dimethyl-4-bromobenzylamineNSC374881-(4-Bromophenyl)-N,N-dimethylmethylamine4-bromodimethylbenzylamine4-(N,N-DIMETHYLAMINOMETHYL)BROMOBENZENESCHEMBL399795DTXSID80978379RFEDQTSVZVRTGH-UHFFFAOYSA-N

Database identifiers

CAS: 6274-57-3
PubChem CID: 235757
DTXSID: DTXSID80978379
EC Number: 815-955-6
Nikkaji: J1.319.089E

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 165 · 165-167 °C
Boiling point: 121 · 121-122 °C(Press: 20 Torr)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
pka: 8.56 · 8.56±0.28(Predicted)
color: Clear, colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.