Basic information
- CAS
1074-16-4- Standard SMILES
OCCc1ccccc1Br- InChIKey
ADLOWZRDUHSVRU-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98367701
Overview
See also: Benzeneethanol, 2-bromo- (annotation moved to).
Names & identifiers
- Preferred name
- 2-(2-Bromophenyl)ethan-1-ol
- IUPAC
- 2-(2-bromophenyl)ethanol
- English name
- 2-Bromophenethylalcohol
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
2-(2-Bromophenyl)Ethan-1-OlRefChem:453484839-968-12-(2-Bromophenyl)ethanol1074-16-42-Bromophenethyl alcohol2-BromophenethylalcoholMFCD00093566o-Bromophenethyl Alcohol2-(2-Bromophenyl)ethyl Alcohol2-bromophenyl ethyl alcohol2-(2-bromo-phenyl)-ethanol
Show more names
2-broMo-2-phenylethan-1-ol2-BROMOPHENYLETHANOL2-bromophenylethyl alcoholO-bromophenylethanolBenzeneethanol, 2-bromo-
SCHEMBL286557SY011299B3516EN300-212273F0001-01532-Bromobenzeneethanol2-(2-Hydroxyethyl)bromobenzene2-(2-Hydroxyethyl)bromobenzene; 2-Bromobenzeneethanol; 2-Bromophenethyl Alcohol; o-Bromophenethyl Alcohol; o-Bromophenylethyl Alcohol;
Database identifiers
- CAS
1074-16-4- PubChem CID
- 2734089
- DTXSID
DTXSID60370115- EC Number
- 839-968-1
- Nikkaji
- J1.491.455B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Boiling point
- 97 °C/0.7 · 97 °C/0.7 mmHg (lit.)
- Density
- 1.483 g/mL · 1.483 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.577(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Ethyl Acetate
- pka
- 14.7 · 14.70±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.483 · 1.483
- color
- Clear slightly yellow
- InChI
- InChI=1S/C8H9BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
- InChIKey
- ADLOWZRDUHSVRU-UHFFFAOYSA-N
- SMILES
- C1(CCO)=CC=CC=C1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062990
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromophenethyl alcohol is used as an end capping reagent during the synthesis of rod-coil block copolymers and also as a test compound in the study to evaluate the potential Aedes aegypti repellent chemotype.
Uses2-Bromophenethyl alcohol is a brominated phenethanol derivative used as a building block in the preparation or bicyclic and tricyclic heterocycles.
General Description2-Bromophenethyl alcohol is a phenethyl alcohol derivative. It participates in the preparation of novel P-chirogenic phosphines with a sulfur-chelating arm (P*,S-hybrid ligand).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司
Related reactions
58 records
Compound notes
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