Basic information
- CAS
906008-22-8- Standard SMILES
COc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
CCAYVXOPUWTCNL-UHFFFAOYSA-N- Molecular formula
- C13H19BO4
- Average molar mass
- 250.1 g/mol
- Monoisotopic mass
- 250.1376392
Names & identifiers
- Preferred name
- 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- IUPAC
- 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- English name
- 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- Molecular formula
- C13H19BO4
- Molecular weight
- 250.1
Names & synonyms
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol906008-22-8MFCD11227057SCHEMBL4252418CCAYVXOPUWTCNL-UHFFFAOYSA-NMB09841DB-294422CS-0189135E90472F6272793-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) phenolPHENOL, 3-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Database identifiers
- CAS
906008-22-8- PubChem CID
- 11715768
- EC Number
- 182-963-8
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 97 · 97.0-99.1 °C
- Boiling point
- 394.4 · 394.4±32.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 9.63 · 9.63±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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