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Docosanoyl chloride

Docosanoyl chloride structure

CAS No:
21132-76-3
Formula:
C22H43ClO
Chemical Name:
Docosanoyl chloride
Synonyms:
Docosanoyl chloride;Behenoyl chloride;n-Docosanoyl chloride;Behenic acid chloride
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Docosanoyl chloride Basic Attributes

Molecular Weight：

359.03

Exact Mass：

359.03

EC Number：

606-710-2

DSSTox ID：

DTXSID20399367

HScode：

2915900090

Characteristics

PSA：

17.1

XLogP3：

8.57370

Density：

0.897g/cm3

Boiling Point：

390.1ºC at 760 mmHg

Flash Point：

194.7ºC

Refractive Index：

1.456

Storage Conditions：

−20°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 3

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:359.0
XLogP3:10.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:20
Exact Mass:358.3002437
Monoisotopic Mass:358.3002437
Topological Polar Surface Area:17.1
Heavy Atom Count:24
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes