1-Chloro-4-phenylbutane - CAS 4830-93-7
Catalog: |
BB026516 |
Product Name: |
1-Chloro-4-phenylbutane |
CAS: |
4830-93-7 |
Synonyms: |
4-chlorobutylbenzene |
IUPAC Name: | 4-chlorobutylbenzene |
Description: | 1-Chloro-4-phenylbutane (CAS# 4830-93-7) is a useful research chemical. |
Molecular Weight: | 168.66 |
Molecular Formula: | C10H13Cl |
Canonical SMILES: | C1=CC=C(C=C1)CCCCCl |
InChI: | InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 |
InChI Key: | FLLZCZIHURYEQP-UHFFFAOYSA-N |
Boiling Point: | 125-128 °C (20 torr) |
Purity: | 98% |
Density: | 1.026 g/cm3 |
Appearance: | Clear colorless liquid |
LogP: | 3.24810 |
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 |
Publication Number | Title | Priority Date |
CN-113264850-A | Synthetic method of nootropic ketonic A | 20210527 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
CN-111410600-A | Preparation method of p-phenylbutoxy benzoic acid | 20200121 |
WO-2020054670-A1 | Novel heteroaromatic amide derivative and medicine containing same | 20180910 |
JP-WO2020054670-A1 | New heteroaromatic amide derivatives and pharmaceuticals containing them | 20180910 |
Complexity: | 84.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0705781 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0705781 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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