2-bromo-N,N-diethylacetamide

HCID 225545CAS 2430-01-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCN(CC)C(=O)CBr
InChIKey: LHNPENNQGSGOTO-UHFFFAOYSA-N
Molecular formula: C6H12BrNO
Average molar mass: 194.07 g/mol
Monoisotopic mass: 193.0102261

Names & identifiers

Preferred name: 2-bromo-N,N-diethylacetamide
IUPAC: 2-bromo-N,N-diethylacetamide
English name: 2-bromo-N,N-diethyl-acetamide
Molecular formula: C6H12BrNO
Molecular weight: 194.07

Names & synonyms

2-bromo-n,n-diethylacetamideDTXSID50280012RefChem:467132DTXCID10231166888-633-62430-01-52-Bromo-N,N-diethyl-acetamideMFCD06800061Acetamide, 2-bromo-N,N-diethyl-n,n-diethyl-2-bromoacetamideN,N-diethylbromoacetamideNSC15092

Show more names

2-bromo-N,N-diethyl-ethanamide2-bromo-N,N-diethylacetamide(SALTDATA: FREE)

N-(Bromoacetyl)diethylamineSCHEMBL318240N,N-diethyl-2-bromo-acetamideN,N-diethyl-alpha-bromoacetamideSCHEMBL14158789SCHEMBL14158790LHNPENNQGSGOTO-UHFFFAOYSA-NALBB-019150

Database identifiers

CAS: 2430-01-5
PubChem CID: 225545
DTXSID: DTXSID50280012
EC Number: 888-633-6
Nikkaji: J797.237G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 91.1

Physicochemical properties

Boiling point: 82 °C · 82 °C(Press: 0.6 Torr)
Density: 1.3745 g/cm3 · 1.3745 g/cm3
refractive index: 1.496 · 1.496
form: solid
pka: -1.04 · -1.04±0.70(Predicted)
InChI: 1S/C6H12BrNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChIKey: LHNPENNQGSGOTO-UHFFFAOYSA-N
SMILES: O=C(CBr)N(CC)CC
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P330-P363-P405-P501
RIDADR: 3265 · UN3265
WGK Germany: 3 · WGK 3
HazardClass: 8 · 8
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
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

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

Safety data

wgk: WGK 3
ridadr: UN3265
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard statements: H302-H314-H332
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. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P330-P363-P405-P501