CAS 461432-23-5 4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene (HCID 9996449)

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Basic information

CAS: 461432-23-5
Standard SMILES: CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N
Molecular formula: C15H14BrClO
Average molar mass: 325.63 g/mol
Monoisotopic mass: 323.99165485

Names & identifiers

Preferred name: 4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene
IUPAC: 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
English name: 4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
Molecular formula: C15H14BrClO
Molecular weight: 325.63

Names & synonyms

4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene4-bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene4-Bromo-1-chloro-2-((4-ethoxyphenyl)methyl)benzeneRefChem:518938636-921-5928-048-6461432-23-54-bromo-1-chloro-2-(4-ethoxybenzyl)benzene5-Bromo-2-chloro-4'-ethoxydiphenylmethane4-(5-Bromo-2-chlorobenzyl)phenyl ethyl etherBenzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-MFCD11042292

Show more names

5-bromo-2-chloro-4’-ethoxydiphenylmethane1-(5-broMo-2-chlorobenzyl)-4-ethoxybenzene4-(Dibenzofuranyl)boronicDapagliflozin Bromo impurityDapagliflozin-13Dapaglifozin DAP Bromo

5-bromo-2-chloro-4 inverted exclamation mark -ethoxydiphenylmethaneDapagliflozin Impurity 254-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene; 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene2-(4-ethoxybenzyl)-4-bromo-1-chlorobenzeneSCHEMBL381509BH764JHR9SCHEMBL29386304DTXSID60433931

Database identifiers

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 241

Physicochemical properties

Boiling point: 393 · 393.0±32.0 °C(Predicted)
Density: 1.371 · 1.371±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Low-Melting Solid
color: White to Off-White
Stability: Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI: InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(Br)C=C1CC1=CC=C(OCC)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.