CAS 619-41-0 2-Bromo-4'-methylacetophenone (HCID 69272)

Names & identifiers

Preferred name: 2-Bromo-4'-methylacetophenone
IUPAC: 2-bromo-1-(4-methylphenyl)ethanone
English name: 2-Bromo-4'-methylacetophenone
Molecular formula: C9H9BrO
Molecular weight: 213.07

Names & synonyms

619-41-02-Bromo-4'-methylacetophenone4-Methylphenacyl bromide2-Bromo-1-(4-methylphenyl)ethanoneEthanone, 2-bromo-1-(4-methylphenyl)-EINECS 210-595-0DTXSID40210929NSC 63192RefChem:466363DTXCID20133420210-595-0InChI=1/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H

Show more names

NSC-63192omega-BroETHYL-P-TOLYLKETONP-TOLYL ETHYL KETONEZolpidem Impurity 54LABOTEST-BB LT000530502-bromo-1-p-tolylethanone4-Methylphenacylbromide98%

2-Bromo-1-(p-tolyl)ethanone2-Bromo-1-(4-Methylphenyl)Ethan-1-One2-Bromo-4-MethylacetophenoneMFCD00000203Acetophenone, 2-bromo-4'-methyl-p-Methylphenacyl bromide4-(Bromoacetyl)toluene2-bromo-1-(p-tolyl)ethan-1-one

Database identifiers

CAS: 619-41-0
PubChem CID: 69272
DTXSID: DTXSID40210929
ChEMBL: CHEMBL142824
UNII: 7DX9QRY7DP
EC Number: 210-595-0
Nikkaji: J95.050E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 45 · 45-49 °C(lit.)
Boiling point: 238 · 238-239 °C(lit.)
Density: 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.528(lit.)
Flash point: 229 °F · 229 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate
form: Crystalline Powder or Needles
color: White to light yellow
BRN: 607041 · 607041
Stability: Stable. Incompatible with strong oxidizing agents, strong bases.
InChI: InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
InChIKey: KRVGXFREOJHJAX-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C)C=C1)CBr
CAS DataBase Reference: 619 · 619-41-0(CAS DataBase Reference)
FDA UNII: 7 DX9QRY7DP · 7DX9QRY7DP
NIST Chemistry Reference: 2 · Ethanone, 2-bromo-1-(4-methylphenyl)-(619-41-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-27-37/39
RIDADR: 2811 · UN 2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin 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

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 2811
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-27-37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-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: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Bromo-4′-methylacetophenone was used in the general fluorous thiol quenching method. It was also used in the preparation of hydroxyquinolinone and N-derivatized carboxamides.

General Description2-Bromo-4′-methylacetophenone is an α-bromoketone.

Upstream & downstream products

Upstream raw materials

Benzene, 1-methyl-4-[1-(phenylmethoxy)ethyl]-(Z)-2-diazonio-1-(4-methylphenyl)ethenolate Benzenemethanol, α-(bromomethyl)-4-methyl-Benzene, 1-(1-bromoethenyl)-4-methyl-1-Bromo-2-(4-methylphenyl)acetylene 2,2-DIBROMO-1-P-TOLYLETHANONE Acetone 4'-Methylacetophenone 1-(4-Methylphenyl)ethanol 4-Methylstyrene

Downstream products

3-(4-METHYLPHENYL)ISOXAZOL-5-AMINE 2-AMINO-4-(P-TOLYL)THIAZOLE 1-(4-bromophenyl)-2-chloroethan-1-one 3'-BROMO-4'-METHYLACETOPHENONE 2,2-DIBROMO-1-P-TOLYLETHANONE

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

237 records

New reaction record

HRID 35516As reactantuspto-grants-1988_08

HRID 35517As reactantuspto-grants-1988_08

HRID 54589As reactantuspto-grants-1997_04

HRID 64651As reactantuspto-grants-1986_09

HRID 107090As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 164157As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 209278As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 220835As reactantuspto-grants-2012_06

Compound notes

Loading…

Basic information