4'-Benzyloxy-2-bromopropiophenone

HCID 100040
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Basic information

CAS
35081-45-9
Standard SMILES
CC(Br)C(=O)c1ccc(OCc2ccccc2)cc1
InChIKey
LSQLSCUJBXFBRB-UHFFFAOYSA-N
Molecular formula
C16H15BrO2
Average molar mass
319.19 g/mol
Monoisotopic mass
318.02554182

Names & identifiers

Preferred name
4'-Benzyloxy-2-bromopropiophenone
IUPAC
2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one
English name
4'-Benzyloxy-2-bromopropiophenone
Molecular formula
C16H15BrO2
Molecular weight
319.19

Names & synonyms

4'-Benzyloxy-2-bromopropiophenoneEINECS 252-351-6NSC 321048RefChem:505982252-351-635081-45-94'-(Benzyloxy)-2-bromopropiophenone2-bromo-4'-benzyloxypropiophenone1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one1-Propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one
Show more names
4'-Benzyloxy-2-bromo-benzyloxypropiophenoneASINEX-REAG BAS 076394604'-Benzyloxy-2-bromopropio4'-Benzyloxy-2-Bromo-Propiophe-Benzyloxy-2-bromopropiophenonep-Benzyloxy-α-broMopropiophenone2,benzyloxy, 2bromopropiophenonea-Bromo-4'-benzyloxypropiophenone
MFCD000178622-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone1-(4-benzyloxyphenyl)-2-bromo-propan-1-one1-[4-(benzyloxy)phenyl]-2-bromo-1-propanone2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone; 1-(4-Benzyloxyphenyl)-2-1-Propanone,2-bromo-1-[4-(phenylmethoxy)phenyl]-NSC3210481-(4-benzyloxyphenyl)-2-bromopropan-1-one

Database identifiers

CAS
35081-45-9
PubChem CID
100040
DTXSID
DTXSID701245048
EC Number
252-351-6
Nikkaji
J32.013G

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
19

Physicochemical properties

Melting point
71 · 71-76℃
Boiling point
424.6 · 424.6±25.0 °C(Predicted)
Density
1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
solubility
Soluble in Methylene chloride, sparingly soluble in methanol & acetone. Insoluble in water
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.

Danger

H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 22-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20724
Hazard Classes and CategoriesAcute Tox. 3 (10%)

Safety data

hs_code
2914.79.4000
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
REACH Registrations
Active

Chemistry & industry

Applications

Uses4'-Benzyloxy-2-bromopropiophenone is an intermediate in the preparation of Bazedoxifene acetate.

Uses4'-(Benzyloxy)-2-bromopropiophenone is an intermediate in the preparation of Bazedoxifene acetate (B129250).

Upstream & downstream products

Downstream products

Suppliers100 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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