1,4-Dibutyl Benzene-1,4-dicarboxylate - CAS 1962-75-0
Catalog: |
BB068676 |
Product Name: |
1,4-Dibutyl Benzene-1,4-dicarboxylate |
CAS: |
1962-75-0 |
Synonyms: |
DIBUTYL TEREPHTHALATE; 1,4-dibutyl benzene-1,4-dicarboxylate; 1,4-Benzenedicarboxylic acid, dibutyl ester; dibutyl benzene-1,4-dicarboxylate; dibutylterephthalate; Terephthalic acid, dibutyl ester; 1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester |
IUPAC Name: | dibutyl benzene-1,4-dicarboxylate |
Description: | 1,4-dibutyl benzene-1,4-dicarboxylate (cas# 1962-75-0) is a useful research chemical. |
Molecular Weight: | 278.34 |
Molecular Formula: | C16H22O4 |
Canonical SMILES: | CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC |
InChI: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
InChI Key: | LQLQDKBJAIILIQ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | Refrigerator |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.15180918 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.15180918 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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