Basic information
- CAS
1446-27-1- Standard SMILES
[Cl-].[NH3+]CC1COc2ccccc2O1- InChIKey
QIPSWJFYYUTYHX-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Overview
See also: 1,4-Benzodioxan, 2-(aminomethyl)-, hydrochloride (preferred).
Names & identifiers
- Preferred name
- 2-(Aminomethyl)-1,4-benzodioxane hydrochloride
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-ylmethylazanium chloride
- English name
- Pyrimidine-5-boronic acid
- Molecular formula
- C9H11NO2.ClH
- Molecular weight
- 201.65
Names & synonyms
2-(Aminomethyl)-1,4-benzodioxane hydrochloride2,3-dihydro-1,4-benzodioxin-3-ylmethylazanium;chlorideUSAF EL-48PYRIMIDIN-5-YLBORONIC ACID5-PYRIMIDYLBORONIC ACIDAKOS BRN-0205RARECHEM AH PB 02645-PYRIMIDINEBORONIC ACIDPyrimidine-5-boronic acidPYRIMIDINE-5-YLBORONIC ACIDPYRIMIDINE-5-BORONIC ACID HClDIHYDROXY(5-PYRIMIDINYL)BORANE
Show more names
4-benzodioxan,2-(aminomethyl)-hydrochloride
Database identifiers
- CAS
1446-27-1- PubChem CID
- 15052
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- CAS DataBase Reference
- 1446 · 1446-27-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Pyrimidylboronic Acid, is one of the new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.
Suppliers51 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…