Basic information
- CAS
1193244-89-1- Standard SMILES
CC(C)(O)c1ncc(Br)cn1- InChIKey
MLMQILHYEBYWHX-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O
- Average molar mass
- 217.06 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromopyrimidin-2-yl)propan-2-ol
- IUPAC
- 2-(5-bromopyrimidin-2-yl)propan-2-ol
- English name
- 2-(5-bromopyrimidin-2-yl)propan-2-ol
- Molecular formula
- C7H9BrN2O
- Molecular weight
- 217.06
Names & synonyms
2-(5-bromopyrimidin-2-yl)propan-2-ol1193244-89-1RefChem:458709968-871-8MFCD195438612-Pyrimidinemethanol, 5-bromo-alpha,alpha-dimethyl-2-(5-Bromo-2-pyrimidinyl)-2-propanolSCHEMBL1404057MLMQILHYEBYWHX-UHFFFAOYSA-NTXB24489EOS-60710AKOS015942639
Show more names
2-Pyrimidinemethanol, 5-bromo-α,α-dimethyl-2-(5-BROMOPYRIMIDIN-2-YL)PROPAN-2-OL 9-BOC-3,9-DIAZA-BICYCLO[3.3.1]NONANE2-(5-BROMOPYRIMIDIN-2-YL)PROPAN-2-OL\n9-BOC-3,9-DIAZA-BICYCLO[3.3.1]NONANE(WXC05145)
SB598992-(5-Bromo-2-pyrimidinyl)-2-propanoAS-65918DA-14709SY269459CS-00367235-Bromo-2-(1-hydroxy-1-methylethyl)pyrimidineEN300-257719
Database identifiers
- CAS
1193244-89-1- PubChem CID
- 58485286
- EC Number
- 968-871-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 269.3 · 269.3±20.0 °C(Predicted)
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.36 · 13.36±0.29(Predicted)
- Appearance
- White to light yellow 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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(5-Bromopyrimidin-2-yl)propan-2-ol is a reactant in the preparation of aminobenzimidazole urea as an antibacterial agent.
Suppliers51 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
西安华瑞致远生物科技有限公司18014474522 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
Related reactions
6 records
Compound notes
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