CAS 613-54-7 2-Bromo-2'-acetonaphthone (HCID 69179)

Names & identifiers

Preferred name: 2-Bromo-2'-acetonaphthone
IUPAC: 2-bromo-1-naphthalen-2-ylethanone
English name: Bromomethyl 2-naphthyl ketone
Molecular formula: C12H9BrO
Molecular weight: 249.1

Names & synonyms

2-Bromo-2'-acetonaphthoneRefChem:570364613-54-7Bromomethyl 2-naphthyl ketone2-(BROMOACETYL)NAPHTHALENE2-Bromo-1-(Naphthalen-2-Yl)Ethan-1-One2-Bromo-1-(2-naphthyl)ethanone2-bromo-1-(naphthalen-2-yl)ethanone2-bromo-1-naphthalen-2-ylethanone2-BromoacetylnaphthaleneMFCD00004109Ethanone, 2-bromo-1-(2-naphthalenyl)-

Show more names

AKOS BBS-00004048TIMTEC-BB SBB000883SS-NAPHTHACYLBROMIDE2-Bromoacetonaphthaleneà-bromo-2-acetonaphthone2-BROMO-2-ACETONAPHTHONEω-Bromoaceto-β-naphthone2-BROMO-2’-ACETONAPTHONE

2-bromo-1-(2-naphthyl)-1-ethanone2-(2-bromoacetyl)naphthalene2-bromo-2'-acetonaphtonebromomethyl-2-naphthyl ketoneAI3-00186CHEMBL101423DTXSID702101992-Bromo-2'-acetonaphthone, 99%

Database identifiers

CAS: 613-54-7
PubChem CID: 69179
DTXSID: DTXSID70210199
ChEMBL: CHEMBL101423
EC Number: 210-348-7
Nikkaji: J95.597C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 82 · 82-84 °C(lit.)
Boiling point: 349.8 · 349.8±15.0 °C(Predicted)
Density: 1.4188 · 1.4188 (rough estimate)
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: acetonitrile: soluble
form: Crystalline Powder
color: Purple-brownish
BRN: 639153 · 639153
InChI: InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey: YHXHHGDUANVQHE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr
CAS DataBase Reference: 613 · 613-54-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29147000 · 29147000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationEthanone, 2-bromo-1-(2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29147000
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Bromo-2′-acetonaphthone was used to determine the concentration of tetra-acids in calcium naphthenate deposits. 2-Bromo-2′-acetonaphthone was used as derivation reagent for determination of fatty acids extracted from Botryococcus braunii by HPLC.

General Description2-Bromo-2′-acetonaphthone is used for derivatization of captopril to develop a fast and sensitive high-performance liquid chromatographic method for the determination of captopril in plasma.2-Bromo-2′-acetonaphthone converts tetra-acids extracted from calcium naphthenate deposits to 2-naphthacyl derivatives.