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Home> Hot Product Listed 2   > 2H-1-Benzopyran-2-one,7-(diethylamino)-3-[5-(2-propenylthio)-1,3,4-thiadiazol-2-yl]-
299-86-5 structure

2H-1-Benzopyran-2-one,7-(diethylamino)-3-[5-(2-propenylthio)-1,3,4-thiadiazol-2-yl]-

Iupac Name:N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
CAS No.:299-86-5
Molecular Weight:291.710921
Molecular Formula:C14H14OS2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
InChkey
BOFHKBLZOYVHSI-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
Properties
Melting Point
60℃
Vapour
0.000138mmHg at 25°C
Refractive Index
1.501
Flash Point
241.2°C
Safety and Handling
Risk Statements
21/22-50/53
Safety Statements
A poison by ingestion and inhalation. Moderately toxic via skin contact and possibly other routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of POx, NOx, and Cl−.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

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

H312 Harmful in contact with skin

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.

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

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/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:291.710921g/mol
  • Molecular Formula:C14H14OS2
  • XLogP3-AA:3.4
  • Exact Mass:291.079108
  • Monoisotopic Mass:291.079108
  • Complexity:319
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:47.6
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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