CAS 135-73-9 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone (HCID 67282)

Overview

cpd is used to make anti-infective & anti-inflammatory agents by reaction with pyridazine cpds; structure given in first source

Names & identifiers

Preferred name: 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone
IUPAC: 2-bromo-1-(4-phenylphenyl)ethanone
English name: 2-Bromo-4'-phenylacetophenone
Molecular formula: C14H11BrO
Molecular weight: 275.14

Names & synonyms

2-Bromo-4'-phenylacetophenone135-73-94-Phenylphenacyl bromidep-Phenylphenacyl bromideBromomethyl p-biphenylyl ketoneAcetophenone, 2-bromo-4'-phenyl-Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo-XRZ97JC5PSEthanone, 1-(1,1'-biphenyl)-4-yl-2-bromo-NSC-37117DTXSID50596601-(1,1'-BIPHENYL)-4-YL-2-BROMOETHANONE

Show more names

AKOS BBS-00004047TIMTEC-BB SBB0010974-BROMOACETYLBIPHENYLPHENYLPHENACYL BROMIDE4'-PHENYLPHENACYL BROMIDEA-BROMO-4-PHENYLACETOPHENONEω-bromo-4-phenylacetophenone

RefChem:526438DTXCID8034293205-217-6p-Bromoacetylbiphenyl2-bromo-1-(4-phenylphenyl)ethanone2-Bromo-1-(4-Phenylphenyl)Ethan-1-Onealpha-Bromo-p-phenylacetophenone1-([1,1'-Biphenyl]-4-yl)-2-bromoethanone

Database identifiers

CAS: 135-73-9
PubChem CID: 67282
DTXSID: DTXSID5059660
ChEMBL: CHEMBL413032
UNII: XRZ97JC5PS
EC Number: 205-217-6
Nikkaji: J5.615D

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Experimental & physicochemical properties

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials PropertiesChemical structure

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 123 · 123-125 °C(lit.)
Boiling point: 370 · 370.0±17.0 °C(Predicted)
Density: 1.393 · 1.3930 (rough estimate)
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
form: Powder
color: Yellow to beige-brown
Sensitive: Lachrymatory
BRN: 513838 · 513838
InChI: 1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: KGHGZRVXCKCJGX-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(cc1)-c2ccccc2
CAS DataBase Reference: 135 · 135-73-9(CAS DataBase Reference)
FDA UNII: 97 JC5PS · XRZ97JC5PS
EPA Substance Registry System: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo- (135-73-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 8 · 8-19
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information2-Bromo-4'-phenylacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Biphenyl.

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 8-19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29147000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
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: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363