4-Bromo-alpha-propylbenzenemethanol
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Basic information
- CAS
22135-53-1- Standard SMILES
CCCC(O)c1ccc(Br)cc1- InChIKey
DQQQQAUVVHNVPH-UHFFFAOYSA-N- Molecular formula
- C10H13BrO
- Average molar mass
- 229.11 g/mol
- Monoisotopic mass
- 228.01498
Names & identifiers
- Preferred name
- 4-Bromo-alpha-propylbenzenemethanol
- IUPAC
- 1-(4-bromophenyl)butan-1-ol
- English name
- 1-(4-Bromophenyl)-butanol
- Molecular formula
- C10H13BrO
- Molecular weight
- 229.11
Names & synonyms
4-Bromo-alpha-propylbenzenemethanolRefChem:5203711-(4-bromophenyl)butan-1-ol22135-53-11-(4-bromophenyl)-1-butanol1-(4-BROMOPHENYL)-BUTANOLMFCD00021926H99B3C2NXB(1)-4-Bromo-alpha-propylbenzyl alcohol71411-64-8Benzenemethanol,4-bromo-a-propyl-4-Bromo-alpha-propylbenzyl alcohol
Show more names
4-Bromo-α-propylbenzenemethanolBenzenemethanol, 4-bromo-α-propyl-DL-4-BROMO-ALPHA-PROPYLBENZYL ALCOHOL1-(4-bromophenyl)-1-butanol(SALTDATA: FREE)
EINECS 244-801-5EINECS 275-368-0UNII-H99B3C2NXBSCHEMBL6111588SCHEMBL9691816DTXSID70944780STK208436AKOS005416441
Database identifiers
- CAS
22135-53-1、71411-64-8- PubChem CID
- 90739
- DTXSID
DTXSID70944780- UNII
- H99B3C2NXB
- EC Number
- 244-801-5、275-368-0
- Nikkaji
- J285.443K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 147 °C · 147 °C(Press: 11 Torr)
- Density
- 1.339 g/cm3 · 1.339 g/cm3(Temp: 11 °C)
- pka
- 14.22 · 14.22±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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