Bis(4-bromophenyl)amine

HCID 629950

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Basic information

CAS: 16292-17-4
Standard SMILES: Brc1ccc(Nc2ccc(Br)cc2)cc1
InChIKey: VKVHTZNHLOGHGP-UHFFFAOYSA-N
Molecular formula: C12H9Br2N
Average molar mass: 327.01 g/mol
Monoisotopic mass: 324.91017349

Names & identifiers

Preferred name: Bis(4-bromophenyl)amine
IUPAC: 4-bromo-N-(4-bromophenyl)aniline
English name: BIS(4-BROMOPHENYL)AMINE
Molecular formula: C12H9Br2N
Molecular weight: 327.01

Names & synonyms

Bis(4-bromophenyl)amine16292-17-44-Bromo-N-(4-bromophenyl)anilineDTXSID40348074RefChem:568884DTXCID70299146628-026-3Bis-(4-Bromophenyl)amineBis-(4-bromo-phenyl)-amine4,4'-DibromodiphenylamineMFCD00225488C12H9Br2N

Show more names

4,4'-Di(bromophenyl)amineBis(4-bromophenyLII (4-bromophenyl) amineDouble(4-BroMophenyl)aMineBis(4-bromophenyl)amine >Bis(4-bromophenyl)amine 97%

4-Bromo-n-(4-bromophenyl)benzenamineCS-00200724,4'-Dibromodiphenylamine;N-phenyl-4,4'-dibromoaniline;Bis(p-bromophenyl)amineBenzenamine, 4-bromo-N-(4-bromophenyl)-EC-000.1578Bis(p-bromophenyl)amineBis(4-?bromophenyl)?amineMethylene Blue Impurity 29

Database identifiers

CAS: 16292-17-4
PubChem CID: 629950
DTXSID: DTXSID40348074
EC Number: 628-026-3
Nikkaji: J82.496H

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 106 °C · 106 °C
Boiling point: 380.5 · 380.5±27.0 °C(Predicted)
Density: 1.74 · 1.740±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -0.55 · -0.55±0.40(Predicted)
color: White to Almost white
InChI: InChI=1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H
InChIKey: VKVHTZNHLOGHGP-UHFFFAOYSA-N
SMILES: C1(NC2=CC=C(Br)C=C2)=CC=C(Br)C=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318-H413
Precautionary statements: 264 · P264-P270-P273-P280-P301+P312-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-36/39
WGK Germany: 3 · 3
HS Code: 29214400 · 29214400
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29214400
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-36/39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318-H413
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1
Precautionary statements: P264-P270-P273-P280-P301+P312-P305+P351+P338

Chemistry & industry

Applications

UsesDi(4-bromophenyl)amine is an amine organic compound and an important intermediate in the synthesis of pressure-sensitive dyes, pharmaceuticals, rubber, pesticides, and adhesive excipients.