Basic information
- CAS
51483-92-2- Standard SMILES
O=c1ccoc2ccc(Br)cc12- InChIKey
XVNBWGGBXOJIDR-UHFFFAOYSA-N- Molecular formula
- C9H5BrO2
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.94729
Names & identifiers
- Preferred name
- 6-bromo-4H-chromen-4-one
- IUPAC
- 6-bromochromen-4-one
- English name
- 6-Bromochromone
- Molecular formula
- C9H5BrO2
- Molecular weight
- 225.04
Names & synonyms
6-Bromo-4H-chromen-4-oneRefChem:541040679-542-06-Bromochromone51483-92-26-bromochromen-4-oneMFCD002393696-Bromo-4-oxo-4H-1-benzopyran6-Bromochromone, 98%4H-1-Benzopyran-4-one, 6-bromo-SCHEMBL321544DTXSID50338340
Show more names
6-bromone6-BROMOCHROMONE 98%6-Bromochromone >6-Bromochromone,98%6-Bromochromone, 97.5%6-bromo-1-benzopyran-4-one
AKOS000275967CS-0187188D89003EN300-67332576-Bromochromon6-Bromo-4H-1-benzopyran-4-oneFT-0639998A828620
Database identifiers
- CAS
51483-92-2- PubChem CID
- 548522
- DTXSID
DTXSID50338340- EC Number
- 679-542-0
- Nikkaji
- J2.180.719B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 135 · 135-139 °C (dec.)(lit.)
- Boiling point
- 306 · 306.0±42.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- 1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
- InChIKey
- XVNBWGGBXOJIDR-UHFFFAOYSA-N
- SMILES
- Brc1ccc2OC=CC(=O)c2c1
- CAS DataBase Reference
- 51483 · 51483-92-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29329990 · 29329990
- Storage Class
- 11 · 11 - Combustible Solids
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
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers74 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海毓川医药科技有限公司02161555100
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
连云港康诚生物科技有限公司18151258299 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [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]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
上海思阔化学科技有限公司021-33758897 13916453957 · [email protected]
Related reactions
6 records
Compound notes
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