Basic information
- CAS
609807-25-2- Standard SMILES
COc1cc(F)cc(B(O)O)c1- InChIKey
MQFKLCWETPKBCH-UHFFFAOYSA-N- Molecular formula
- C7H8BFO3
- Average molar mass
- 169.95 g/mol
- Monoisotopic mass
- 170.05505274
Names & identifiers
- Preferred name
- (3-Fluoro-5-methoxyphenyl)boronic acid
- IUPAC
- (3-fluoro-5-methoxyphenyl)boronic acid
- English name
- 3-Fluoro-5-methoxyphenylboronic acid
- Molecular formula
- C7H8BFO3
- Molecular weight
- 169.95
Names & synonyms
(3-fluoro-5-methoxyphenyl)boronic acidRefChem:400233672-940-53-Fluoro-5-methoxyphenylboronic acid609807-25-23-fluoro-5-methoxybenzeneboronic acidMFCD07363780(3-fluoro-5-methoxy-phenyl)boronic Acid3-Fluoro-5-methoxyphenylboronic Acid (contains varying amounts of Anhydride)3-Fluoro-5-methoxyphenylboronicacidQD3BCK67TJSCHEMBL447912
Show more names
uoro-5-methoxyphenyL3-Borono-5-fluoroanisole3-Fluoro-5-Methoxyphenylboroni3-Fluoro-5-methoxyphenylboronicaci3-Fluoro-5-methoxybenzeneboronicacid98%3-Fluoro-5-methoxyphenylboronic acid ,98%3-Fluoro-5-methoxybenzeneboronic acid 98%Boronic acid, B-(3-fluoro-5-methoxyphenyl)-
SCHEMBL31243807DTXSID80376836MQFKLCWETPKBCH-UHFFFAOYSA-NSBB0712493-fluoro-5-methoxy phenylboronic acid3-Fluoro-5-methoxyphenyl boronic acidAKOS000285077AB30754
Database identifiers
- CAS
609807-25-2- PubChem CID
- 2763243
- DTXSID
DTXSID80376836- UNII
- QD3BCK67TJ
- EC Number
- 672-940-5
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 168 · 168-172
- Boiling point
- 305.5 · 305.5±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 7.07 · 7.07±0.10(Predicted)
- color
- White to Almost white
- InChI
- 1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
- InChIKey
- MQFKLCWETPKBCH-UHFFFAOYSA-N
- SMILES
- COc1cc(F)cc(c1)B(O)O
- CAS DataBase Reference
- 609807 · 609807-25-2(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36-36/37/39
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 29163990 · 29163990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
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 3 reports by companies from 3 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
- wgk
- WGK 3
- hs_code
- 29163990
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
石家庄德科达化工有限公司0311-67790228 15531158659 · [email protected]
安徽合诺生物科技有限公司18455579438
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
江苏奥赛康药业有限公司13585114296 13585114296 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
Related reactions
15 records
Compound notes
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