Basic information
- CAS
925180-06-9- Standard SMILES
OCCCn1cc(Br)cn1- InChIKey
YQLRCJHEXNYUIH-UHFFFAOYSA-N- Molecular formula
- C6H9BrN2O
- Average molar mass
- 205.05 g/mol
- Monoisotopic mass
- 203.98982501
Names & identifiers
- Preferred name
- 3-(4-bromo-1H-pyrazol-1-yl)propan-1-ol
- IUPAC
- 3-(4-bromopyrazol-1-yl)propan-1-ol
- English name
- AKOS B023947
- Molecular formula
- C6H9BrN2O
- Molecular weight
- 205.05
Names & synonyms
925180-06-94-Bromo-1-(3-hydroxypropyl)pyrazole3-(4-bromo-1H-pyrazol-1-yl)propan-1-ol4-Bromo-1-(3-hydroxypropyl)-1H-pyrazole3-(4-bromopyrazol-1-yl)propan-1-olMFCD06804869AKOS B0239474-Bromo-1H-pyrazole-1-propanol3-(4-bromopyrazolyl)propan-1-ol1H-Pyrazole-1-propanol, 4-bromo-AKOS PAO-1044SCHEMBL2029566
Show more names
DTXSID40586333YQLRCJHEXNYUIH-UHFFFAOYSA-NART-CHEM-BB B023947ALBB-003677SBB022871STK350065XH1006AKOS000312143
Database identifiers
- CAS
925180-06-9- PubChem CID
- 16640644
- DTXSID
DTXSID40586333
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 318.8 · 318.8±22.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Related reactions
4 records
Compound notes
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