3-Bromobenzophenone

HCID 70548CAS 1016-77-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)c1cccc(Br)c1
InChIKey
XNUMUNIJQMSNNN-UHFFFAOYSA-N
Molecular formula
C13H9BrO
Average molar mass
261.11 g/mol
Monoisotopic mass
259.98368

Names & identifiers

Preferred name
3-Bromobenzophenone
IUPAC
(3-bromophenyl)-phenylmethanone
English name
3-Bromobenzophenone
Molecular formula
C13H9BrO
Molecular weight
261.11

Names & synonyms

3-Bromobenzophenone1016-77-9EINECS 213-808-5DTXSID10144045RefChem:93238DTXCID5066536213-808-5(3-bromophenyl)(phenyl)methanone(3-bromophenyl)-phenylmethanoneMethanone, (3-bromophenyl)phenyl-MFCD00672015(3-bromophenyl)-phenyl-methanone
Show more names
BromoBenzophenone,m-3-BromobenzoylbenzeneSALOR-INT L169765-1EA3-Bromobenzophenone 98%3-BroMbenzophenone, 97%3-Bromobenzophenone,97%3-bromodibenzenemethylone3-Bromophenylphenyl ketone
SCHEMBL40538Phenyl(3-bromophenyl) ketoneCS-0156563EN300-250756Z385416902m-bromobenzophenone(3-bromophenyl)phenylmethanoneAMY6637

Database identifiers

CAS
1016-77-9
PubChem CID
70548
DTXSID
DTXSID10144045
EC Number
213-808-5
Nikkaji
J217.141D

Properties

Computed structural properties

XLogP
4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
74.5 · 74.5-77.5 °C(lit.)
Boiling point
347.5 °C · 347.5°C (rough estimate)
Density
1.4245 · 1.4245 (rough estimate)
refractive index
1.513 · 1.5130 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Appearance
White to light yellow Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): 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 6 reports by companies from 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29147000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses3-Bromobenzophenone reacts with diphenylmethane to yield the bromo-TPE intermediate mTPE-Br, which serves as a building block for tetraphenylethylene-based derivatives[2].

Upstream & downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州圣壹新材料科技有限公司0371-63891666 18037898020 · [email protected]

Related reactions

26 records
New reaction record

Linked notes

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