Basic information
- CAS
845870-55-5- Standard SMILES
CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
WWGNYCWKFZIQQS-UHFFFAOYSA-N- Molecular formula
- C13H20BNO2
- Average molar mass
- 233.12 g/mol
- Monoisotopic mass
- 233.158709
Names & identifiers
- Preferred name
- N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- IUPAC
- N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- English name
- 4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
- Molecular formula
- C13H20BNO2
- Molecular weight
- 233.11
Names & synonyms
N-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINERefChem:830471691-769-7845870-55-5N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline4-(N-METHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER4-(N-Methylamino)phenylboronic acid pinacol esterMFCD067956684-(methylamino)phenylboronic acid pinacol esterBenzenamine, N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL4841284-(methylamino)phenylboronic acid pinacol ester, 97%
Show more names
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
(4-(METHYLAMINO)PHENYL)BORONIC ACID PINACOL ESTERDTXSID20474709WWGNYCWKFZIQQS-UHFFFAOYSA-NAKOS015960129methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineFM32978NCGC00662619-01AS-18796
Database identifiers
- CAS
845870-55-5
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 341.7 · 341.7±25.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.16 · 4.16±0.42(Predicted)
- Appearance
- Off-white to pale purple Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers46 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
10 records
Compound notes
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