4-Bromo-4'-methoxybenzophenone

HCID 794333CAS 54118-75-1

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Basic information

Standard SMILES: COc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIKey: VFMPCNWWYIQPCN-UHFFFAOYSA-N
Molecular formula: C14H11BrO2
Average molar mass: 291.14 g/mol
Monoisotopic mass: 289.99424

Names & identifiers

Preferred name: 4-Bromo-4'-methoxybenzophenone
IUPAC: (4-bromophenyl)-(4-methoxyphenyl)methanone
English name: 4-BROMO-4'-METHOXYBENZOPHENONE
Molecular formula: C14H11BrO2
Molecular weight: 291.14

Names & synonyms

4-Bromo-4'-methoxybenzophenone54118-75-1DTXSID80355227RefChem:290904DTXCID10306287(4-bromophenyl)(4-methoxyphenyl)methanone(4-bromophenyl)-(4-methoxyphenyl)methanoneMFCD00228667Methanone,(4-bromophenyl)(4-methoxyphenyl)-Cambridge id 5314129MLS000576849SCHEMBL1010096

Show more names

CHEMBRDG-BB 5314129-methoxybenzophenone4-Bromo-2,11-diaminopyridine4-bromo-4'-methoxydibenzenemethyloneMethanone, (4-bromophenyl)(4-methoxyphenyl)-(4-BROMO-PHENYL)-(4-METHOXY-PHENYL)-METHANONE

CHEMBL1326786VFMPCNWWYIQPCN-UHFFFAOYSA-NHMS2435K094-Methoxyphenyl 4-bromophenyl ketoneXH0491AKOS006034027BS-28526SMR000185325

Database identifiers

CAS: 54118-75-1
PubChem CID: 794333
DTXSID: DTXSID80355227
ChEMBL: CHEMBL1326786
EC Number: 675-400-7
Nikkaji: J908.055D

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 251

Physicochemical properties

Melting point: 160 · 160-161 °C
Boiling point: 393.4 · 393.4±22.0 °C(Predicted)
Density: 1.401 · 1.401±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: White to off-white Solid
CAS DataBase Reference: 54118 · 54118-75-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501