CAS 66416-72-6 4-Bromo-2-iodoaniline (HCID 823934)

Names & identifiers

Preferred name: 4-Bromo-2-iodoaniline
IUPAC: 4-bromo-2-iodoaniline
English name: 4-Bromo-2-iodoaniline
Molecular formula: C6H5BrIN
Molecular weight: 297.92

Names & synonyms

4-Bromo-2-iodoaniline66416-72-6DTXSID00356418RefChem:519726DTXCID70307477613-931-84-BROMO-2-IODOBENZENAMINEBenzenamine, 4-bromo-2-iodo-MFCD020937644-bromo-2-iodo-aniline2-iodo-4-bromoaniline4-bromo-2-iodophenylamine

Show more names

AKOS BB-7878ASISCHEM T543432-Iodine-4-bromoaniline4-Bromo-2-iodoaNAine, 97%4-Bromo-2-iodoaniline >4-Bromo-2-iodoaniline,97%4-Bromo-2-iodoaniline 97%4-bromo-2-iodo-benzenamine4-BROMO-2-IODO-PHENYLAMINE

(4-bromo-2-iodophenyl)amineSCHEMBL1934904-Bromo-2-iodoaniline, 97%BBL018997STK041013AKOS000108494AB10839CS-W002880

Database identifiers

CAS: 66416-72-6
PubChem CID: 823934
DTXSID: DTXSID00356418
EC Number: 613-931-8
Nikkaji: J1.281.656A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 69 · 69-72 °C(lit.)
Boiling point: 297.9 · 297.9±30.0 °C(Predicted)
Density: 2.292 · 2.292±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in Methanol
pka: 1.83 · 1.83±0.10(Predicted)
form: Powder
color: Gray to purple
InChI: InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey: HHTYEQWCHQEJNV-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1I
CAS DataBase Reference: 66416 · 66416-72-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335-H411
Precautionary statements: 273 · P273-P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,N,Xi
Risk Statements: 25 · 25-37/38-41-51/53
Safety Statements: 26 · 26-36/37/39-45-61
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29214200 · 29214200
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29214200
risk_code: 25-37/38-41-51/53
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS09
hazard_code: T,N,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-61
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335-H411
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P280-P301+P310+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses4-Bromo-2-iodoaniline may be used in the following:Preparation of quinolone derivatives.Synthesis of a resin-bound sulfonamide, which was used as a starting material for the preparation of 2,3,5-trisubstituted indoles.

General Description4-Bromo-2-iodoaniline is a 2-iodoaniline derivative. It can be prepared by reacting 4-bromoaniline with iodine.