1-Bromo-4-phenylmethoxybenzene

HCID 138835CAS 6793-92-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1ccc(OCc2ccccc2)cc1
InChIKey
OUQSGILAXUXMGI-UHFFFAOYSA-N
Molecular formula
C13H11BrO
Average molar mass
263.13 g/mol
Monoisotopic mass
261.99933

Names & identifiers

Preferred name
1-Bromo-4-phenylmethoxybenzene
IUPAC
1-bromo-4-phenylmethoxybenzene
English name
4-Benzyloxybromobenzene
Molecular formula
C13H11BrO
Molecular weight
263.13

Names & synonyms

1-(Benzyloxy)-4-bromobenzene1-bromo-4-phenylmethoxybenzeneRefChem:430670614-179-34-Benzyloxybromobenzene6793-92-61-Benzyloxy-4-bromobenzene1-bromo-4-(phenylmethoxy)benzene1-bromo-4-benzyloxybenzene4-benzyloxy-1-bromobenzeneC13H11BrO1-benzyloxy-4-bromo-benzene
Show more names
4-BenzyLAURORA KA-4380oxybromobenzene4-BenzyloxybromobenzBenzyloxybromobenzene-Benzyloxybromobenzenep-Bromophenyl benzyl eth1-phenoxy-4-bromobenzene
MFCD000280164-(benzyloxy)bromobenzeneBenzyl p-bromophenyl ether4-bromophenyl benzyl etherBenzyl 4-Bromophenyl EtherBenzyl4-(Bromophenyl)-ether-d4Benzene, 1-bromo-4-(phenylmethoxy)-1-Bromo-4-[(phenylmethyl)oxy]benzene

Database identifiers

CAS
6793-92-6
PubChem CID
138835
DTXSID
DTXSID40218142
EC Number
614-179-3
Nikkaji
J397.267D

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
60 · 60-63 °C (lit.)
Boiling point
166 · 166-167 °C/4 mmHg (lit.)
Density
1.3883 · 1.3883 (rough estimate)
refractive index
1.513 · 1.5130 (estimate)
Flash point
166 · 166-167°C/3mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035
Hazard Classes and CategoriesSkin Irrit. 2 (15.6%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29093090
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses1-Benzyloxy-4-Bromobenzene is used in preparation of arylalkenylpropargylamine derivatives as MAO-B inhibitors exhibiting neuroprotective action for treatment of neurodegenerative diseases.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
怀化宝华生物科技有限公司0519-82698292 · [email protected]

Related reactions

127 records
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Linked notes

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