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Home> Hot Product Listed 4   > 4-Allyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol
14297-81-5 structure

4-Allyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol

CAS No.:14297-81-5
Molecular Weight:186.6785
Molecular Formula:C9H10CL3NO (isomer)
Names and Identifiers
Synonyms

3-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1h-1,2,4-triazole-5-thione 4-allyl-5-(4-methoxybenzyl)-4h-1,2,4-triazole-3-thiol 5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazole-3-thiol 5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3h-1,2,4-triazole-3-thione 5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-2h-1,2,4-triazole-3-thione 8224AE AC1LIK78 AC1Q7F05 AJ-55187 AK-98342 AKOS000283420 ALBB-003326 BAS 08866779 BBL008706 DTXSID50358624 mfcd03945806 MOLPORT-001-576-733 OPREA1_094489 ST50286171 STK132013 Y-1016 ZINC5910830 zx-an003306 zx-cm001303

Inchi
InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3
Canonical Smiles
CC(=CC1C(C1(C)C)C(=O)Cl)C
Properties
Vapour
0.243mmHg at 25°C
Refractive Index
1.533
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:186.6785g/mol
  • Molecular Formula:C9H10CL3NO
  • XLogP3-AA:4.4
  • Exact Mass:186.081143
  • Monoisotopic Mass:186.081143
  • Complexity:236
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:+86-571-87396430 87396432
  • Fax:
  • Tel:+86-0311-66562153
  • Fax:
  • Tel:+86-(23)-62922305
  • Fax:+86-(23)-62912751
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