CAS 586-77-6 4-bromo-N,N-dimethylaniline (HCID 11465)

Names & identifiers

Preferred name: 4-bromo-N,N-dimethylaniline
IUPAC: 4-bromo-N,N-dimethylaniline
English name: 4-Bromo-N,N-dimethylaniline
Molecular formula: C8H10BrN
Molecular weight: 200.08

Names & synonyms

4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoaniline1-Bromo-4-(dimethylamino)benzenep-Dimethylaminobromobenzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene

Show more names

N-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline

4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene

Database identifiers

CAS: 586-77-6
PubChem CID: 11465
DTXSID: DTXSID2060414
ChEMBL: CHEMBL3098160
UNII: K49ZS2E9KX
EC Number: 209-582-2
Nikkaji: J55.361A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 95

Experimental & physicochemical properties

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 52 · 52-54 °C (lit.)
Boiling point: 264 °C · 264 °C (lit.)
Density: 1.322 · 1.3220
refractive index: 1.5748 · 1.5748 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Methanol
pka: 4.23 · 4.23(at 25℃)
form: Crystalline Solid
color: White to gray or light blue
Water Solubility: Soluble in methanol. Insoluble in water.
BRN: 2206155 · 2206155
Stability: Stable. Incompatible with oxidizing agents, acids, metals.
InChI: 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey: XYZWMVYYUIMRIZ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(Br)cc1
CAS DataBase Reference: 586 · 586-77-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 49 ZS2E9KX · K49ZS2E9KX
NIST Chemistry Reference: 4 · 4-Bromo-N,N-dimethylaniline(586-77-6)
EPA Substance Registry System: N,N-Dimethyl-p-bromoaniline (586-77-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/38-33-22
Safety Statements: 26 · 26-36-45-37-28A
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 9300000 · BW9300000
F: 8 · 8
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29214290 · 29214290
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)；Acute Tox. 4 (96.9%)；Skin Irrit. 2 (98.4%)；Eye Irrit. 2 (98.4%)；Acute Tox. 4 (96.9%)

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F: 8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: BW9300000
ridadr: 2811
hs_code: 29214290
risk_code: 20/21/22-36/38-33-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-45-37-28A
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302+H312+H332-H315-H319
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE

Applications

Uses4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).