4-Bromobenzophenone (HCID 7030)

Names & identifiers

Preferred name: 4-Bromobenzophenone
IUPAC: (4-bromophenyl)-phenylmethanone
English name: 4-BROMOBENZOPHENONE
Molecular formula: C13H9BrO
Molecular weight: 261.11

Names & synonyms

4-Bromobenzophenone(4-Bromophenyl)(phenyl)methanoneBENZOPHENONE, 4-BROMO-4-Bromophenyl phenyl ketonep-BenzoylbromobenzeneNSC 59863BRN 1910182EINECS 202-024-9DTXSID00753664-07-00-01378 (Beilstein Handbook Reference)pBromobenzophenonepBenzoylbromobenzene

Show more names

9-(4-broMophenyl)-9-phenyl-9H-fluoreneUSAF do-3P-BROMOBENZOPHENONE4-bromo-benzophenonLABOTEST-BB LT00053402p-Bromodiphenyl Ketone

Benzophenone, 4bromoRefChem:981794Bromophenyl phenyl ketoneMethanone, (4bromophenyl)phenylDTXCID9048697202-024-9KEOLYBMGRQYQTN-UHFFFAOYSA-N90-90-4

Database identifiers

CAS: 90-90-4
PubChem CID: 7030
DTXSID: DTXSID0075366
UNII: XJ7EB9BC7F
EC Number: 202-024-9
Nikkaji: J42.004B

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzophenones

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionWhite odorless powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 79 · 79-84 °C(lit.)
Boiling point: 350 °C · 350 °C(lit.)
Density: 1.4245 · 1.4245 (rough estimate)
refractive index: 1.513 · 1.5130 (estimate)
Flash point: 350 °C · 350°C
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
color: White to light beige
Water Solubility: Insoluble in water but slightly soluble in other solvents such as ethanol, ether and benzene.
BRN: 1910182 · 1910182
InChI: InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey: KEOLYBMGRQYQTN-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(C1=CC=CC=C1)=O
CAS DataBase Reference: 90 · 90-90-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · 4-Bromobenzophenone (90-90-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
RTECS: 350000 · DJ0350000
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryIntraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzophenone.

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: DJ0350000
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Bromobenzophenone is used in analytical applications such as HPLC and GC. It is also used as a chemical reagent and pharmaceutical intermediate.

Upstream & downstream products

Upstream raw materials

Downstream products

Benzene, 1,1'-[(1Z)-1,2-diphenyl-1,2-ethenediyl]bis[4-bromo-PDS2350 4-BROMODIPHENYLMETHANE (2-(4-vinylphenyl)ethene-1,1,2-triyl)tribenzene 4-CYANOBENZOPHENONE 1,2-Di(4-carboxyphenyl)-1,2-diphenylethylene 1-(4-BroMophenyl)-1,2,2-triphenylethylene (E)-1,2-bis(4-bromophenyl)-1,2-diphenylethene 4-BROMOBENZOPHENONE ETHYLENE KETAL

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]

Changzhou Carman Chemical Co., Ltd.15061933924

苏州启航生物科技有限公司18151111370 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

60 records

New reaction record

HRID 93095As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117519As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 156097As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168257As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172458As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 188422As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 215500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 261930As reactantuspto-grants-1979_05

Linked notes

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Basic information