CAS 5915-41-3|2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine|N2-(tert-Butyl)-N4-ethyl-6-chloro-1,3,5-triazine-2,4-diamine|terbuthylazine|特丁津|Terbuthylazine|Terbuthylazine|特丁津溶...

Molecular Formula

C₉H₁₆ClN₅

Molecular Mass

229.70984

Exact Mass

229.10942322

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

InChIKey

FZXISNSWEXTPMF-UHFFFAOYSA-N

Canonic Smiles

CCNc1nc(Cl)nc(n1)NC(C)(C)C

Isomeric Smiles

n1c(nc(nc1NC(C)(C)C)Cl)NCC

JChem

Acid pKa

14.166229

H Acceptors

H Donor

LogD (pH = 5.5)

2.4761474

LogD (pH = 7.4)

2.4781525

Log P

2.4781783

Molar Refractivity

66.854

Polarizability

23.022987

Polar Surface Area

62.73

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC name

2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

Synonyms

N2-(tert-Butyl)-N4-ethyl-6-chloro-1,3,5-triazine-2,4-diamine特丁津TerbuthylazineTerbuthylazine特丁津溶液Terbuthylazin solutionGS 13529tert-Butylazine6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamineTyllanex2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazineG 135296-Chloro-N2-(1,1-dimethylethyl)-N4-ethyl-1,3,5-triazine-2,4-diamineGardoprimTerbutazineTerbutylazineChlorCaragardGardeprim A 1862Terbutylethylazine4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine

IUPAC Traditional name

terbuthylazine

Beilstein Number

CAS Number

MDL Number

Wikipedia Title

Physical Property

Flash Point

51.8 °F

11 °C

100 °C

212 °F

European Hazard Symbols

Toxic (T)

Flammable (F)

Harmful (Xn)

RID/ADR

UN 1230 3/PG 2

Storage Temperature

2-8°C

UN Number

1230

GHS Pictograms

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Signal Word

Danger

Warning

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Risk Statements

11-23/24/25-39/23/24/25

Packing Group

MSDS Link

Download link

GHS Precautionary statements

P210-P260-P280-P301+P310-P311

German water hazard class

GHS Hazard statements

H225-H301-H311-H331-H370

H302+H332

Safety Statements

7-16-36/37-45

Hazard Class

RTECS

XY4550000

Product Information

Grade

PESTANAL®, analytical standard

analytical standard

Concentration

100 ng/μL in methanol

Empirical Formula (Hill Notation)

C9H16ClN5

Packaging

ampule of 50 mg

Certificate of Analysis

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No Data Available

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Sigma Aldrich

36589

General description
Standard for Supelco MIP SPE cartridges. For more information request Supelco Literature T407075, T706023
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

45678

TRC

T110500

A triazine herbicide.

From Data Sources

• Schenck, F., et al.: Bull Environ. Contam. Toxicol., 73, 24 (2004)