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Home> Encyclopedia >   /  Acaricide  /  Pharmaceutical Intermediates  /  Agrochemicals & Pesticides  /  Organic Intermediate  /  Agrochemical Intermediates
ZINC62021862 structure
ZINC62021862 structure

ZINC62021862

Iupac Name:N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide
CAS No.:33089-61-1
Molecular Weight:293.414
1. Names and Identifiers
1.1 Name
ZINC62021862
1.2 Synonyms

1-(4-(6-(dimethylamino)pyridazin-3-yl)piperazin-1-yl)-2-(pyrimidin-2-yloxy)ethanone AKOS024525881 F5868-0254 MCULE-3426997388 MOLPORT-009-747-135 VU0526643-1

1.3 CAS No.
33089-61-1
1.4 CID
36324
1.5 Molecular Formula
C17H21N3O3 (isomer)
1.6 Inchi
InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
1.7 InChkey
QXAITBQSYVNQDR-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C
1.9 Isomers Smiles
CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C
2. Properties
3.1 Melting point
86-87℃
3.1 Refractive index
1.5892 (estimate)
3.1 Vapour pressure
3.4×10-4 Pa (25 °C)
3.1 Precise Quality
293.18900
3.1 PSA
27.96000
3.1 logP
4.87180
3. Safety and Handling
4.1 Symbol
GHS07, GHS08, GHS09
4.1 Signal Word
Warning
4.1 Risk Statements
R22;R43;R48/22;R50/53
4.1 Safety Statements
S22;S24;S36/37;S60;S61
4.1 Packing Group
III
4.1 Hazard Class
9
4.1 Hazard Declaration
H302-H317-H373-H410
4.1 RIDADR
UN 3077
4.1 Caution Statement
P260-P280-P301 + P312 + P330
4.1 WGK Germany
3
4.1 RTECS
ZF0480000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:293.414g/mol
  • Molecular Formula:C17H21N3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:293.189197746
  • Monoisotopic Mass:293.189197746
  • Complexity:354
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:28
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • What is Amitraz? Jul 28 2020
    Amitraz is a contact broad-spectrum Formamidine insecticide, which is a moderately toxic acaricide. In 1971, Palmer reported its acaricidal activity, and Boots Co. Ltd. recommended it as acaricide in 1973. It has contact, antifeedant and repellent effects, but also has certain stomach poisoning, fu...
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