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2-Bromo-1,2-diphenylethan-1-one

HCID 102630
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1484-50-0
Standard SMILES
O=C(c1ccccc1)C(Br)c1ccccc1
InChIKey
ZFFBIQMNKOJDJE-UHFFFAOYSA-N
Molecular formula
C14H11BrO
Average molar mass
275.14 g/mol
Monoisotopic mass
273.99932707

Names & identifiers

Preferred name
2-Bromo-1,2-diphenylethan-1-one
IUPAC
2-bromo-1,2-diphenylethanone
English name
2-Bromo-2-phenylacetophenone
Molecular formula
C14H11BrO
Molecular weight
275.14

Names & synonyms

Desyl bromide2-Bromo-1,2-diphenylethanoneEthanone, 2-bromo-1,2-diphenyl-2-Bromo-1,2-diphenylethan-1-oneEINECS 216-057-1DTXSID308836812Bromo2phenylacetophenoneRefChem:465779Ethanone, 2bromo1,2diphenylDTXCID401023186216-057-12-Bromo-2-phenylacetophenone
Show more names
Desyl bromide 97%AKOS BBS-00000845α-BromodeoxybenzoinA-BROMODESOXY BENZOIN2-bromo-1,2-diphenyl-ethanonPhenyl(α-bromobenzyl) ketone
1484-50-0MFCD000001362-bromo-1,2-diphenyl-ethanonealpha-BromodeoxybenzoindesylbromideDesyl bromide, 97%alpha-bromodesoxibenzoineSCHEMBL627867

Database identifiers

CAS
1484-50-0
PubChem CID
102630
DTXSID
DTXSID30883681
EC Number
216-057-1
Nikkaji
J206.691B

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
227

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
56 · 56-58 °C (lit.)
Boiling point
344.8 · 344.8±22.0 °C(Predicted)
Density
1.393 · 1.3930 (rough estimate)
refractive index
1.513 · 1.5130 (estimate)
storage temp.
0 · 0-6°C
solubility
soluble in Toluene
form
Crystalline Powder
color
Beige-brown
InChI
1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey
ZFFBIQMNKOJDJE-UHFFFAOYSA-N
SMILES
BrC(c1ccccc1)C(=O)c2ccccc2

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
1759
hs_code
29147000
risk_code
34-36/37
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
C

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 2-bromo-1,2-diphenyl-: INACTIVE

Applications

UsesDesyl bromide has been used in:synthesis of phosphate esters of benzoin and benzoinyl N-carbobenzyloxyglycylphenylalanatenovel chemiluminogenic reaction for the sensitive determination of Arg-containing peptides

General DescriptionReaction of cesium N-carbobenzyloxyglycylphenylalanate with desyl bromide in DMF has been investigated.

Upstream & downstream products

Downstream products

Ethanone, 1,2-diphenyl-2-(1-piperidinyl)-Bax 4392-amino-4,5-diphenyloxazole

Suppliers67 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]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

24 records
New reaction record
HRID 67230 reaction equation
HRID 67230As reactantuspto-grants-1982_08
HRID 195525 reaction equation
HRID 195525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 257640 reaction equation
HRID 257640As reactantuspto-grants-1993_11
HRID 258996 reaction equation
HRID 258996As reactantuspto-grants-1977_07
HRID 377318 reaction equation
HRID 377318As reactantuspto-grants-2000_02
HRID 380128 reaction equation
HRID 380128As reactantuspto-grants-2001_10
HRID 544642 reaction equation
HRID 544642As reactantuspto-grants-1984_05
HRID 604931 reaction equation
HRID 604931As reactantuspto-grants-2011_03
Page 1 of 3

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS DataBase Reference
1484 · 1484-50-0(CAS DataBase Reference)
EPA Substance Registry System
2 · Ethanone, 2-bromo-1,2-diphenyl- (1484-50-0)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
314 · H314-H335
Precautionary statements
260 · P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
target organs
Respiratory system
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
34 · 34-36/37
Safety Statements
28 A-26-45-36/37/39-28-27 · 28A-26-45-36/37/39-28-27
RIDADR
1759 · 1759
WGK Germany
3 · 3
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
III
HS Code
29147000 · 29147000
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities
1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
safety_code
28A-26-45-36/37/39-28-27
hazard_class
8
Storage Class
8A - Combustible corrosive hazardous materials
packing_group
III
target organs
Respiratory system
Hazard statements
H314-H335
Limited Quantities
1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications
Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements
P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
上海仲因实业有限公司
2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
白银承泽化工科技有限公司+86 943-8535351 13389336721 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]