(2-chloroethyl)trimethylazanium chloride

• ChemBase ID: 104175
• Molecular Formular: C5H13Cl2N
• Molecular Mass: 158.06942
• Monoisotopic Mass: 157.04250478
• SMILES: [Cl-].C[N+](C)(C)CCCl
• Canonical SMILES: ClCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
• InChIKey: UHZZMRAGKVHANO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)trimethylazanium chloride
• IUPAC Traditional name: (2-chloroethyl)trimethylazanium chloride
• Synonyms: Cycocel; (2-Chloroethyl)trimethylammonium chloride; Chlormequat chloride; 2-Chloroethyl]trimethylammonium chloride; CHLOROCHOLINE CHLORIDE; Chlorocholine chloride; Chlormequat chloride; Chlorocholine chloride; Choline dichloride; (2-Chloroethyl)trimethylammonium chloride; 2-Chloro-N,N,N-trimethylethanaminium chloride; (2-氯乙基)三甲基氯化铵; 二氯胆碱; 氯化矮壮素; 矮壮素; 氯化氯胆碱; 矮壮素; (2-氯乙基)三甲基氯化铵

Database IDs

• CAS Number: 999-81-5
• EC Number: 213-666-4
• MDL Number: MFCD00011869
• Beilstein Number: 3563994
• Merck Index: 142104
• PubChem SID: 162091921; 24868862; 24854041; 24892574
• PubChem CID: 13836

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.3076773
• LogD (pH = 7.4): -3.3076773
• Log P: -3.3076773
• Molar Refractivity: 45.245 cm^3
• Polarizability: 13.225313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~255 °C (dec.); 239-243 °C (dec.)(lit.); 239-243°C; ca 241°C dec.
• Density: 1.14 1.22 g/cm^3 at 20 °C
• Vapor Pressure: 23 hPa at 20 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: BP5250000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21/22; R:21/22
• Safety Statements: 36/37; S:36/37
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280; P280-P302+P352-P322-P301+P312-P312-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (AT); ≥98.0%; 95+%; 98%; 98% (dry wt.), may cont. up to 5% water
• Grade: PESTANAL®, analytical standard; purum; SAJ special grade
• Suitability: plant cell culture tested
• Linear Formula: (CH3)3N(Cl)CH2CH2Cl

DETAILS

MP Biomedicals - 02154961

([2-Chloroethyl]trimethylammonium chloride) Crystalline

Sigma Aldrich - C4049

Biochem/physiol Actions
Chlormequat (Chlorocholine) chloride is a synthetic plant growth regulator that inhibits gibberellin (GA) biosynthesis. It is used to study the mechanisms and effects of gibberellins on plant cell growth and differentiation.

Sigma Aldrich - 234435

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 45387

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH