4-Bromo-2,6-dichloroaniline

HCID 69680CAS 697-88-1

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1c(Cl)cc(Br)cc1Cl
InChIKey: NPQBZKNXJZARBJ-UHFFFAOYSA-N
Molecular formula: C6H4BrCl2N
Average molar mass: 240.91 g/mol
Monoisotopic mass: 238.89041659

Names & identifiers

Preferred name: 4-Bromo-2,6-dichloroaniline
IUPAC: 4-bromo-2,6-dichloroaniline
English name: 4-Bromo-2,6-dichloroaniline
Molecular formula: C6H4BrCl2N
Molecular weight: 240.91

Names & synonyms

4-Bromo-2,6-dichloroaniline697-88-1EINECS 211-809-5NPQBZKNXJZARBJ-UHFFFAOYSA-DTXSID10219989RefChem:98033DTXCID10142480211-809-5InChI=1/C6H4BrCl2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2NPQBZKNXJZARBJ-UHFFFAOYSA-NMFCD000251624-bromo-2,6-dichlorophenylamine

Show more names

4-Bromo-2,4,-dichloroaniline4-Bromo-2,6-dichloroaniline >4-Bromo-2,6-dichloroaniline, 97%4-BROMO-2,6-DICHLORO-BENZENAMINE(4-BROMO-2,6-DICHLOROPHENYL)AMINE4-Bromo-2,6-dichloro-1-benzenaminBenzenamine, 4-bromo-2,6-dichloro-4-Bromo-2,6-dichloro-1-benzenamine

Benzenamine, 2-bromo-4,6-dichloro-AKOS000120537CS-W012802SY020730EN300-20944F14577Z1044851602,6-Dichloro-4-bromoaniline

Database identifiers

CAS: 697-88-1
PubChem CID: 69680
DTXSID: DTXSID10219989
EC Number: 211-809-5
Nikkaji: J206.021C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 83 · 83-87 °C
Boiling point: 256.5 · 256.5±35.0 °C(Predicted)
Density: 1.827 · 1.827±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 0 · 0.00±0.10(Predicted)
color: White to Yellow to Orange
BRN: 2089687 · 2089687
InChI: 1S/C6H4BrCl2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey: NPQBZKNXJZARBJ-UHFFFAOYSA-N
SMILES: Nc1c(Cl)cc(Br)cc1Cl
CAS DataBase Reference: 697 · 697-88-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 411 · H411
Precautionary statements: 273 · P273-P391-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37/39-22
WGK Germany: 3 · 3
Hazard Note: Irritant/Harmful
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Aquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29214200
risk_code: 22-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS09
hazard_code: Xn,Xi
hazard_note: Irritant/Harmful
safety_code: 26-36-36/37/39-22
Storage Class: 11 - Combustible Solids
Hazard statements: H411
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P273-P391-P501

Chemistry & industry

Applications

Uses4-Bromo-2,6-dichloroaniline is a reagent in the preparation of 4-alkyl-1-phenylpyrazole and 4-alkyl-1-phenyltrioxabicyclooctane derivatives which are GABA receptor antagonist insecticides.