Basic information
- CAS
123291-97-4- Standard SMILES
CCOc1ccc(C)cc1B(O)O- InChIKey
KBGGTPGSWHNQEX-UHFFFAOYSA-N- Molecular formula
- C9H13BO3
- Average molar mass
- 180.01 g/mol
- Monoisotopic mass
- 180.0957744
Names & identifiers
- Preferred name
- 2-Ethoxy-5-methylphenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- (2-ethoxy-5-methylphenyl)boronic acid
- English name
- 2-Ethoxy-5-methylphenylboronic acid
- Molecular formula
- C9H13BO3
- Molecular weight
- 180.01
Names & synonyms
2-Ethoxy-5-methylphenylboronic Acid (contains varying amounts of Anhydride)RefChem:471618834-542-12-Ethoxy-5-methylphenylboronic acid123291-97-4(2-ethoxy-5-methylphenyl)boronic acidMFCD001968322-ETHOXY-5-METHYLBENZENEBORONIC ACIDBoronic acid, B-(2-ethoxy-5-methylphenyl)-(2-ethoxy-5-methyl-phenyl)boronic AcidSCHEMBL1490739DTXSID10404914
Show more names
AKOS BRN-08882-Ethoxy-5-methyL4-Ethoxytoluene-3-boronic acid(2-Ethoxyl-5-methylphenyl)boronic acid2-Ethoxy-5-methylbenzeneboronic acid 95%2-Ethoxy-5-methylphenylboronic acid - [E3045]
AKOS004113938AB04691SY051047E11892-Ethoxy-5-methylphenylboronicacid2-ETHOXY-5-META805040SCHEMBL29956763
Database identifiers
- CAS
123291-97-4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 89 · 89-94 °C(lit.)
- Boiling point
- 351.9 · 351.9±52.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.67 · 8.67±0.58(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Keep Cold
- HazardClass
- IRRITANT
- HS Code
- 2931900090 · 2931900090
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers64 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]
上海腾准生物科技有限公司19821570922 · [email protected]
安徽合诺生物科技有限公司0555-2761852
T&W GROUP021-61551611 13296011611 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [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]
安徽合诺生物科技有限公司18455579438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…