Basic information
- CAS
2142-63-4- Standard SMILES
CC(=O)c1cccc(Br)c1- InChIKey
JYAQYXOVOHJRCS-UHFFFAOYSA-N- Molecular formula
- C8H7BrO
- Average molar mass
- 199.04 g/mol
- Monoisotopic mass
- 197.96802694
Names & identifiers
- Preferred name
- 3'-Bromoacetophenone
- IUPAC
- 1-(3-bromophenyl)ethanone
- English name
- 3'-Bromoacetophenone
- Molecular formula
- C8H7BrO
- Molecular weight
- 199.04
Names & synonyms
3'-Bromoacetophenonem-BromoacetophenoneEthanone, 1-(3-bromophenyl)-3-BROMOACETOPHENONENSC 46620DTXSID40870941EINECS 218-396-0RefChem:90331DTXCID70818619218-396-0JYAQYXOVOHJRCS-UHFFFAOYSA-N2142-63-4
Show more names
M-bromophenoneAKOS BBS-000032353'-Bromacetophenon3-bromoacetephenoneBROMOACETOPHENONE-3
1-(3-Bromophenyl)ethanone1-(3-bromophenyl)ethan-1-one1-Acetyl-3-bromobenzeneAcetophenone, 3'-bromo-3-bromo acetophenoneMFCD000000831-(3-Bromo-phenyl)-ethanone3`-Bromoacetophenone
Database identifiers
- CAS
2142-63-4- PubChem CID
- 16502
- DTXSID
DTXSID40870941- ChEMBL
CHEMBL5271897- UNII
- H4GKS4UK72
- EC Number
- 218-396-0
- Nikkaji
- J47.600E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 8 · 8-11 °C(lit.)
- Boiling point
- 79 · 79-81 °C0.2 mm Hg
- Density
- 1.505 g/mL · 1.505 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.576(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Water Solubility
- Practically insoluble in water
- form
- Liquid
- Specific Gravity
- 1.498 · 1.498
- color
- Clear slightly yellow to yellow
- BRN
- 507599 · 507599
- InChI
- 1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
- InChIKey
- JYAQYXOVOHJRCS-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cccc(Br)c1
- CAS DataBase Reference
- 2142 · 2142-63-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Bromoacetophenone(2142-63-4)
- EPA Substance Registry System
- 1 · Ethanone, 1-(3-bromophenyl)- (2142-63-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29147090 · 29147090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24924
3'-Bromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
EPA Provisional Peer-Reviewed Toxicity Values
3-Bromoacetophenone
PDF Document
2011
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147090
- risk_code
- 36/37/38-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(3-bromophenyl)-: ACTIVE
Applications
Uses3''-Bromoacetophenone is a chemical reagent used in the synthesis of chalcone derivatives as anti-cancer agents. Also used in the preparation of biphenyl pyridazinone deriatives as PDE4 inhibitors in anti-inflammatory treatments.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
Related reactions
116 records
Compound notes
Loading…