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Stearoyl chloride

Stearoyl chloride structure

Stearoyl chloride 

structure
  • CAS No:

    112-76-5

  • Formula:

    C18H35ClO

  • Chemical Name:

    Stearoyl chloride

  • Synonyms:

    Octadecanoyl chloride;Stearoyl chloride;Stearic acid chloride;Stearic chloride;Stearyl chloride;Octadecanoic acid chloride;Octadecyloyl chloride;Stearyl acid chloride

  • Categories:

    Chemical Reagents  >  Organic Reagents

Stearoyl chloride Basic Attributes

302.92

302.92

204-004-5

MYP8E32GM2

DTXSID9051583

2915900090

Characteristics

17.1

8.96

strongly brown liquid

0.9±0.1 g/cm3

23 °C

215 °C @ Press: 15 Torr

>230 °F

1.453

hydrolysis;SOL IN HYDROCARBONS AND ETHERS

−20°C

0.000106mmHg at 25°C

Oral-rat LD50: 7500 mg/kg

Flammable; decomposes toxic hydrogen chloride gas in case of heat or water

Safety Information

III

8

UN 3261 8/PG 2

2

14-34

26-36/37/39-43-45

RG2162000

C

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and alkalis

P280-P305 + P351 + P338-P310

H314

|Danger|H290 (55.28%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P333+P313, P362, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 161 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362

Toxicity

practically nontoxic

Drug Information

stearoyl chloride

Stearoyl chloride Use and Manufacturing

Methods of Manufacturing

Mix stearic acid with dimethylformamide, add a catalyst, and react with phosgene. Then nitrogen gas is used to drive off the hydrogen chloride and excess phosgene generated by the reaction, and the vacuum distillation is performed to obtain the finished product. Raw material consumption quota: 970kg/t of stearic acid, 420kg/t of phosgene (98%), 10kg/t of dimethylformamide (98%), and 400kg/t of liquid alkali (30%).

Uses

Usually used in the synthesis of tumor-associated macrophages and antitumor agents.

Octadecanoyl chloride: ACTIVE

Computed Properties

Molecular Weight:302.9
XLogP3:8.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:16
Exact Mass:302.2376434
Monoisotopic Mass:302.2376434
Topological Polar Surface Area:17.1
Heavy Atom Count:20
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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