| NEOHEPTANOYL CHLORIDE | ||
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PRODUCT IDENTIFICATION |
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| CAS NO. | 15721-22-9 |
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| EINECS NO. | ||
| FORMULA | C7H13ClO | |
| MOL WT. | 148.63 | |
| H.S. CODE | 2915.90 | |
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TOXICITY |
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| SYNONYMS | 2,2-Dimethylpentanoyl chloride; 2,2-Dimethylvaleroyl chloride; | |
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SMILES |
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CLASSIFICATION |
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PHYSICAL AND CHEMICAL PROPERTIES |
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| PHYSICAL STATE |
Clear to yellowish liquid | |
| MELTING POINT | ||
| BOILING POINT | 83 at 77 mm Hg | |
| SPECIFIC GRAVITY | ||
| SOLUBILITY IN WATER | Decomposes | |
| pH |
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| VAPOR DENSITY | ||
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AUTOIGNITION |
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REFRACTIVE INDEX |
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NFPA RATINGS |
Health: 3 Flammability: 2 Reactivity: 0 | |
| FLASH POINT |
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| STABILITY | Stable under ordinary conditions. Moisture Sensitive. | |
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DESCRIPTION AND APPLICATIONS |
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Acid chlorides are used as very reactive intermediates to prepare carboxylic
acid derivatives including anhydrides, esters and amides because of the two
strong electron withdrawing chlorine and oxygen on the carbonyl compound, and
positive charge carbon accordingly. It is easy for a weak nucleophile to attack
the carbon. Acid chlorides are also reactive with Gilman reagents to prepare
large molecules from small ones by replacing the halides with an organic group.
Neoheptanoyl chloride,
C-8 acyl halide
with methyl branches,
is a clear, corrosive
liquid.
It reacts with water;
soluble in common aprotic organic solvents. It is used
in the synthesis of fine chemicals,
agrochemicals and pharmaceuticals. It is also used as an intermediate for dyes, textile
auxiliaries. The prefix ne(o)- describes a new chemical compound related in some way to an
older one, typically more branched chains in the normal structure.
Acyl is a radical formed from an organic acid by removal of a hydroxyl group. The general formula of acyl compound is RCO-. Acyl halide is one of a large group of organic substances containing the halocarbonyl group, have the general formula RCO·X, where X is a halogen atom (fluorine, chlorine, bromine, iodine, and astatine) and R may be aliphatic, alicyclic, aromatic, and H etc. In substitutive chemical nomenclature, their names are formed by adding '-oyl' as a suffix to the name of the parent compound; ethanoyl chloride, CH3COCl, is an example. The terms acyl and aroyl halides refer to aliphatic or aromatic derivatives, respectively. Acyl halides are made by replacing the -OH group in carboxylic acids by halogen using halogenating agents. They react readily with water, alcohols, and amines and are widely used in organic synthetic process whereby the acyl group is incorporated into the target molecules by substitution of addition-elimination sequence called acylation reaction. Acylation reaction involves substitution by an electron donor (nucleophile) at the electrophilic carbonyl group (C=O). Common nucleophiles in the acylation reaction are aliphatic and aromatic alcohols, both of which give rise to esters and amines (RNH2) which give amides. The carboxylic acid (X = OH) itself can function as an acylating agent when it is protonated by a strong acid catalyst as in the direct esterification of an alcohol. Two common acylation agents, with the general formula RCOX, are acid halides (X = halogen atom) and anhydrides (X = OCOR). Schotten-Baumann reaction is an acylation reaction that uses an acid chloride in the presence of dilute alkali to acylate the hydroxyl and amino group of organic compounds. There are also other acylating agents. |
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| SALES SPECIFICATION | ||
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APPEARANCE |
Clear to yellowish liquid | |
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ASSAY |
96.0% min | |
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HCl |
0.1% max | |
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FREE ACID |
0.5% max | |
| TRANSPORTATION | ||
| PACKING | 190kgs in drum | |
| HAZARD CLASS | 8 (Packing group: II) | |
| UN NO. | 3265 | |
| OTHER INFORMATION | ||
| Hazard Symbols: C, Risk Phrases: 34, Safety Phrases: 25-36/37/39-45 | ||
