3-(3-Bromophenyl)prop-2-yn-1-ol
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Basic information
- CAS
170859-80-0- Standard SMILES
OCC#Cc1cccc(Br)c1- InChIKey
UNSAJINGUOTTRA-UHFFFAOYSA-N- Molecular formula
- C9H7BrO
- Average molar mass
- 211.05 g/mol
- Monoisotopic mass
- 209.96803
Names & identifiers
- Preferred name
- 3-(3-Bromophenyl)prop-2-yn-1-ol
- IUPAC
- 3-(3-bromophenyl)prop-2-yn-1-ol
- English name
- 3-(3-BROMOPHENYL)PROP-2-YN-1-OL
- Molecular formula
- C9H7BrO
- Molecular weight
- 211.06
Names & synonyms
3-(3-bromophenyl)prop-2-yn-1-ol170859-80-0DTXSID40394612RefChem:274109DTXCID903454723-(3-Bromo-phenyl)-prop-2-yn-1-ol2-Propyn-1-ol,3-(3-bromophenyl)-MFCD040390553-(3-bromophenyl)pro-2-yn-1-ol2-Propyn-1-ol, 3-(3-bromophenyl)-SCHEMBL79516AKOS PRN-0010
Show more names
UNSAJINGUOTTRA-UHFFFAOYSA-N3-(3-bromophenyl)-2-propyn-1-ol3-(3-bromophenyl)-2-propyne-1-olAKOS004117924FS-1981DB-043841CS-0269049E80246
Database identifiers
- CAS
170859-80-0- PubChem CID
- 3645641
- DTXSID
DTXSID40394612- Nikkaji
- J2.313.146C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 304.2 · 304.2±27.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.10(Predicted)
- form
- oil
- color
- Clear, amber/lime
- CAS DataBase Reference
- 170859 · 170859-80-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2906290090 · 2906290090
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
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
2 records
Compound notes
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