1-Bromotetradecane - CAS 112-71-0
Catalog: |
BB003028 |
Product Name: |
1-Bromotetradecane |
CAS: |
112-71-0 |
Synonyms: |
1-bromotetradecane |
IUPAC Name: | 1-bromotetradecane |
Description: | 1-Bromotetradecane (CAS# 112-71-0) is part of a group of bromoalkanes that have high potential to cause allergic contact dermatitis (ACD) in humans. 1-Bromotetradecane is also a useful synthetic intermediate. |
Molecular Weight: | 277.28 |
Molecular Formula: | C14H29Br |
Canonical SMILES: | CCCCCCCCCCCCCCBr |
InChI: | InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3 |
InChI Key: | KOFZTCSTGIWCQG-UHFFFAOYSA-N |
Boiling Point: | 175-178 °C (20 mmHg) |
Melting Point: | 41765 °C |
Purity: | > 98 % |
Density: | 0.93 g/cm3 |
Appearance: | Pale yellow liquid |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000228 |
LogP: | 6.08240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21754463 | 20110501 | 3-Hexadecyl-1,5-dimethyl-1H-1,5-benzo-diazepine-2,4(3H,5H)-dione | Acta crystallographica. Section E, Structure reports online |
21522462 | 20110226 | 3-{[3-(4-Chloro-phen-yl)-4,5-dihydro-1,2-oxazol-5-yl]meth-yl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | Acta crystallographica. Section E, Structure reports online |
21522422 | 20110219 | 1,3-Dimethyl-3-tetra-decyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | Acta crystallographica. Section E, Structure reports online |
21579489 | 20100522 | 1-Tetra-decyl-indoline-2,3-dione | Acta crystallographica. Section E, Structure reports online |
19757818 | 20091016 | Synthesis of surfactants based on pentaerythritol. I. Cationic and zwitterionic gemini surfactants | The Journal of organic chemistry |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.14526 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.14526 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.1 |
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