2-Bromophenethyl alcohol - CAS 1074-16-4
Catalog: |
BB002076 |
Product Name: |
2-Bromophenethyl alcohol |
CAS: |
1074-16-4 |
Synonyms: |
2-(2-bromophenyl)ethanol |
IUPAC Name: | 2-(2-bromophenyl)ethanol |
Description: | A brominated phenethanol derivative used as a building block in the preparation or bicyclic and tricyclic heterocycles. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | C1=CC=C(C(=C1)CCO)Br |
InChI: | InChI=1S/C8H9BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2 |
InChI Key: | ADLOWZRDUHSVRU-UHFFFAOYSA-N |
Boiling Point: | 97 ℃ (0.7 torr) |
Purity: | 98 % |
Density: | 1.483 g/cm3 |
Appearance: | Clear slightly yellow liquid |
MDL: | MFCD00093566 |
LogP: | 1.98390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111423454-A | Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist | 20200424 |
CN-111423454-B | Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist | 20200424 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
CN-113087700-A | Spirocyclic tetrahydroquinazolines | 20200108 |
US-2021230174-A1 | Spirocyclic tetrahydroquinazolines | 20200108 |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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