CAS 536-38-9 p-Chlorophenacyl bromide (HCID 68303)

Names & identifiers

Preferred name: p-Chlorophenacyl bromide
IUPAC: 2-bromo-1-(4-chlorophenyl)ethanone
English name: 4-Chloro-2'-bromoacetophenone
Molecular formula: C8H6BrClO
Molecular weight: 233.49

Names & synonyms

536-38-92-Bromo-4'-chloroacetophenone2-Bromo-1-(4-chlorophenyl)ethanonep-Chlorophenacyl bromideEthanone, 2-bromo-1-(4-chlorophenyl)-4'-Chlorophenacyl bromide4'-Chloro-2-bromoacetophenone2-Bromo-p-chloroacetophenonep-(Bromoacetyl)chlorobenzeneBromomethyl p-chlorophenyl ketoneomega-Bromo-p-chloroacetophenonep-Chloro-omega-bromoacetophenone

Show more names

2-BROMO-1-(4-CHLOROPHENYL)ETHAN-1-ONE4-CHLOROPHENACYL BROMIDEAKOS 90589AKOS BBS-00000813alpha-Bromo-4-chloroTuloterol Impurity 10.Cenobamate Impurity 25Tulobuterol Impurity 10

Acetophenone, 2-bromo-4'-chloro-NSC 8452alpha-Bromo-p-chloroacetophenone4-Chloro-omega-bromoacetophenonealpha-Bromo-4'-chloroacetophenone.alpha.-Bromo-p-chloroacetophenone.omega.-Bromo-p-chloroacetophenonep-Chloro-.omega.-bromoacetophenone

Database identifiers

CAS: 536-38-9
PubChem CID: 68303
DTXSID: DTXSID7060209
ChEMBL: CHEMBL140061
UNII: 2R0V40DI4R
EC Number: 208-631-5
Nikkaji: J71.685E

Properties

Computed structural properties

XLogP: 3.1
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: 141

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 93 · 93-96 °C(lit.)
Boiling point: 186 °C · 186°C (rough estimate)
Density: 1.5624 · 1.5624 (rough estimate)
refractive index: 1.5963 · 1.5963 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: soluble in Methanol
form: Crystals
color: White to pale yellow
Water Solubility: Insoluble in water.
Sensitive: Lachrymatory
Merck: 14 · 14,2153
BRN: 607603 · 607603
InChI: InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: FLAYZKKEOIAALB-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1)CBr
CAS DataBase Reference: 536 · 536-38-9(CAS DataBase Reference)
FDA UNII: 2 R0V40DI4R · 2R0V40DI4R
EPA Substance Registry System: 2 · Ethanone, 2-bromo-1-(4-chlorophenyl)- (536-38-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-22-36
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 2 · 2
RTECS: 5978800 · AM5978800
F: 19 · 19
Hazard Note: Corrosive/Lachrymatory/Keep Cold
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity: 50 orally · LD50 orally in mice: >2000 mg/kg (Dat-Xuong)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 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 CategoriesAcute Tox. 4 (15.4%)

Safety data

F: 19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: AM5978800
ridadr: UN 3261 8/PG 2
hs_code: 29147000
Toxicity: LD50 orally in mice: >2000 mg/kg (Dat-Xuong)
risk_code: 34-22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
hazard_note: Corrosive/Lachrymatory/Keep Cold
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2-bromo-1-(4-chlorophenyl)-: ACTIVE

Applications

Uses2-Bromo-4'-chloroacetophenone is used as pharmaceutical intermediate.

UsesIn the preparation of quaternary salts of methenamine and of chlorophenol glyoximes.

Upstream & downstream products

Upstream raw materials

Downstream products

2-(4-CHLOROBENZOYL)-1-BENZOFURAN-5-CARBALDEHYDE 3-(4-CHLOROPHENYL)ISOXAZOL-5-AMINE 4-CHLOROBENZOYLACETONITRILE 2-AMINO-4'-CHLOROACETOPHENONE HYDROCHLORIDE (E)-4-(4-chlorophenyl)-2-(((E)-furan-2-ylmethylene)hydrazono)-2,3-dihydrothiazole (5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)(4-CHLOROPHENYL)METHANONE 2H-1,4-Benzoxazine, 3-(4-chlorophenyl)-6-methyl-N'-[5-(4-CHLOROBENZOYL)-1,3-THIAZOL-2-YL]-N,N-DIMETHYLIMINOFORMAMIDE (4-CHLOROPHENYL)(5,7-DICHLORO-3-METHYL-1-BENZOFURAN-2-YL)METHANONE N-BENZYL-4-(4-CHLOROPHENYL)-1,3-THIAZOL-2-AMINE Ethyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

Related reactions

372 records

New reaction record

HRID 1514As reactantuspto-grants-1998_03

HRID 1582As reactantuspto-grants-1998_03

HRID 2087As reactantuspto-grants-1998_03

HRID 2128As reactantuspto-grants-1998_03

HRID 2186As reactantuspto-grants-1998_03

HRID 44282As reactantuspto-grants-2013_09

HRID 44286As reactantuspto-grants-2013_09

HRID 52304As reactantuspto-grants-1997_04

Compound notes

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Basic information