CAS 16518-62-0 3-Bromo-N,N-dimethylaniline (HCID 140102)

Names & identifiers

Preferred name: 3-Bromo-N,N-dimethylaniline
IUPAC: 3-bromo-N,N-dimethylaniline
English name: 3-Bromo-N,N-dimethylaniline
Molecular formula: C8H10BrN
Molecular weight: 200.08

Names & synonyms

3-Bromo-N,N-dimethylaniline16518-62-0Benzenamine, 3-bromo-N,N-dimethyl-DTXSID70167856RefChem:93228DTXCID9090347605-393-8MFCD00045020N,N-Dimethyl-3-bromoanilineC8H10BrN(3-bromophenyl)dimethylamineN,N-Dimethyl 3-bromoaniline

Show more names

3-Bromo-N<3-Bromo-N,N-dimethyLM-BROMODIMETHYL ANILINEm-Bromo-N,N-dimethylanilineN-(3-Bromophenyl)dimethylamine1-Bromo-3-(dimethylamino)benzene

3-bromo-n,n-dimethyl-anilinem-bromodimethylanilineSCHEMBL448533-bromo-1-dimethylaminobenzeneSCHEMBL1637721(3-Bromo-phenyl)-dimethylamine3-bromo-n,n-dimethylbenzenamine1-bromo-3-dimethylamino-benzene

Database identifiers

CAS: 16518-62-0
PubChem CID: 140102
DTXSID: DTXSID70167856
EC Number: 605-393-8
Nikkaji: J270.050F

Properties

Computed structural properties

XLogP: 2.6
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: 103

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 11 °C · 11°C
Boiling point: 126 °C · 126°C 14mm
Density: 1.402 g/mL · 1.402 g/mL at 25 °C
refractive index: 1.6004 · 1.6004
Flash point: 126 °C/14mm · 126°C/14mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Miscible with chloroform, dichloromethane and methanol.
pka: 3.9 · 3.90±0.10(Predicted)
form: liquid
color: Yellow
BRN: 2079908 · 2079908
InChI: InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey: USEXQPWLCGBYNT-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=CC(Br)=C1
CAS DataBase Reference: 16518 · 16518-62-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H319-H351-H373-H410
Precautionary statements: 201 · P201-P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-33
Safety Statements: 26 · 26-36/37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2921420090 · 2921420090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 2STOT RE 2
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (28.6%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: 2810
hs_code: 2921420090
risk_code: 20/21/22-33
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301+H311+H331-H319-H351-H373-H410
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 2STOT RE 2
Precautionary statements: P201-P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311

Chemistry & industry

Applications · 1 item

Uses3-Bromo-N,N-dimethylaniline is involved in fluorination using metal fluoride in the presence of 2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl (AdBrettPhos)-based Pd precatalyst, used to prepare 3-fluoro-N,N- dimethylaniline.