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Chlorocholine

Chlorocholine structure

CAS No:
7003-89-6
Formula:
C5H13ClN
Chemical Name:
Chlorocholine
Synonyms:
Ethanaminium,2-chloro-N,N,N-trimethyl-;2-Chloro-N,N,N-trimethylethanaminium;Chlorocholine;(2-Chloroethyl)trimethylammonium
Categories:
Organic Chemistry > Amides

Description

Chlormequat is a quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. It has a role as a plant growth retardant.|A plant growth regulator that is commonly used on ornamental plants.

Chlorocholine Basic Attributes

Molecular Weight：

122.616

Exact Mass：

122.07400

UNII：

8SUZ1123XX

DSSTox ID：

DTXSID4048064

Characteristics

PSA：

XLogP3：

-3.80

Appearance：

COLOURLESS-TO-WHITE EXTREMELY HYGROSCOPIC CRYSTALS WITH CHARACTERISTIC ODOUR.

Density：

1.14 to 1.15 g/mL at 20 deg C

Melting Point：

239 deg C (decomposes)

Water Solubility：

In water, 9.96X10+5 mg/L at 20-25 deg C

Storage Conditions：

It may be stored in containers of glass or high density plastics, or of metal lined with rubber or epoxyresin.

Vapor Pressure：

7.5X10-8 mm Hg at 20 deg C

Explosive limit：

Contact with strong oxidizers may cause fire and explosions.

Safety Information

Stability/Shelf Life：

Aq soln are chemically stable & retain biological effectiveness.

Precautionary statement(s)：

P260, P261, P264, P270, P271, P273, P301+P312, P304+P312, P304+P340, P305+P351+P338, P309+P311, P312, P330, P332+P313, P337+P313, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P305+P351+P338, P309+P311, P312, P330, P332+P313, P337+P313, P405, and P501

Drug Information

MeSH：

Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins. (See all compounds classified as Plant Growth Regulators.)

MeSH Entry Terms：

Chloride, Chlormequat

Chlorocholine Use and Manufacturing

Use Classification：

Agrochemicals -> Plant Growth Regulators|Plant growth regulators

Computed Properties

Molecular Weight:122.62
XLogP3:0.9
Rotatable Bond Count:2
Exact Mass:122.0736521
Monoisotopic Mass:122.0736521
Heavy Atom Count:7
Formal Charge:1
Complexity:46.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes