CAS 1069-72-3 2-Bromoethyldiethylammonium bromide (HCID 70607)

Names & identifiers

Preferred name: 2-Bromoethyldiethylammonium bromide
IUPAC: 2-bromo-N,N-diethylethanamine;hydrobromide
English name: 2-Bromo-N,N-diethylethylamine hydrobromide
Molecular formula: C6H15Br2N
Molecular weight: 261

Names & synonyms

1069-72-32-Bromo-N,N-diethylethylamine hydrobromide2-Bromoethyldiethylammonium bromideEINECS 213-962-3DTXSID70147810RefChem:467260DTXCID1070301213-962-3(2-bromoethyl)diethylamine hydrobromide2-(Diethylamino)ethyl Bromide HydrobromideMFCD000403762-bromo-N,N-diethylethanamine hydrobromide

Show more names

(2-Bromo-ethyl)-diethyl-amine2-BROMOTRIETHYLAMINE HYDROBROMIDEN,N-DIETHYLAMINOETHYL BROMIDE HBR2-BROMOETHYLDIETHYLAMINE HYDROBROMIDEDIETHYLAMINOETHYL BROMIDE HYDROBROMIDEN N-DIETHYLAMINOETHYL BROMIDEHYDROBROMIDEN-(2-Bromoethyl)diethylamine hydrobromide

2-bromo-n,n-diethylethylamine hbrN-(2-bromoethyl)-N,N-diethylamine hydrobromideN-(2-bromo-ethyl)-N,N-diethylamine hydrobromideF2190-0247N,N-Diethylaminoethyl bromide hydrobromide2-Bromo-N,N-diethylethan-1-aminium bromide2-bromo-n,n-diethylethanaminium bromideEthanamine, 2-bromo-N,N-diethyl-, hydrobromide

Database identifiers

CAS: 1069-72-3
PubChem CID: 70607
DTXSID: DTXSID70147810
EC Number: 213-962-3

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 43.8

Physicochemical properties

Melting point: 211 · 211-215 °C (dec.)(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Water Solubility: Soluble in water
form: Crystalline Powder
color: White to yellow
InChI: InChI=1S/C6H14BrN.BrH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKey: HLMHCDKXKXBKQK-UHFFFAOYSA-N
SMILES: N(CC)(CC)CCBr.Br
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300-H315-H318-H335
Precautionary statements: 280 · 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
Risk Statements: 25 · 25-37/38-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
HS Code: 29211999 · 29211999
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 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

H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (97.5%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29211999
risk_code: 25-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
target organs: Respiratory system
Hazard statements: H300-H315-H318-H335
Limited Quantities: 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. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses2-Bromo-N,N-diethylethylamine hydrobromide is a useful synthetic intermediate. 2-Bromo-N,N-diethylethylamine hydrobromide is also used as a reagent to synthesize benzothiopyranoindazoles, compounds that have anticancer activity, specifically against murine leukemias.