4-Bromobenzenepropanol - CAS 25574-11-2
Catalog: |
BB018958 |
Product Name: |
4-Bromobenzenepropanol |
CAS: |
25574-11-2 |
Synonyms: |
3-(4-bromophenyl)-1-propanol; 3-(4-bromophenyl)propan-1-ol |
IUPAC Name: | 3-(4-bromophenyl)propan-1-ol |
Description: | 4-Bromobenzenepropanol (CAS# 25574-11-2) is a useful reagent in the synthesis of dimethylmorpholine substituted daphneolone derivatives with fungicidal properties. |
Molecular Weight: | 215.09 |
Molecular Formula: | C9H11BrO |
Canonical SMILES: | C1=CC(=CC=C1CCCO)Br |
InChI: | InChI=1S/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2 |
InChI Key: | WODKXGCVVOOEIJ-UHFFFAOYSA-N |
Boiling Point: | 299.932 ℃ at 760 mmHg |
Density: | 1.411 g/cm3 |
MDL: | MFCD09028724 |
LogP: | 2.37400 |
GHS Hazard Statement: | H302 (97.44%): 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 |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
CN-110724026-A | In-situ deoxygenation fluorination synthesis method based on alcohol compound and 18F radioactive labeling method | 20191118 |
WO-2021036922-A1 | Compound inhibiting and inducing degradation of egfr and alk | 20190823 |
WO-2020150372-A1 | Antimicrobial compounds and methods | 20190116 |
WO-2020150385-A1 | Antimicrobial compounds and methods | 20190116 |
Complexity: | 97.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.99933 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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