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Home> Hot Product Listed M   > MOLPORT-006-390-620
7778-53-2 structure

MOLPORT-006-390-620

CAS No.:7778-53-2
Molecular Weight:212.266261
Molecular Formula:C15H19N3O3S (isomer)
Names and Identifiers
Synonyms

1h-indene-2-carbonitrile, 2-(3,4-dimethoxyphenyl)-2,3-dihydro- 2-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carbonitrile 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1h-indene-2-carbonitrile 2-(3,4-dimethoxy-phenyl)-indan-2-carbonitril e 2-(3,4-dimethoxyphenyl)indane-2-carbonitrile AK420996 AKOS005172586 ALBB-010706 BB 0240980 mfcd00565264 R3428 SBB050508 ZINC40354832 zx-an009534

Inchi
InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3
Canonical Smiles
[O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Properties
Melting Point
1340℃
HS Code
2835240000
Safety and Handling
Risk Statements
R38;R41
Safety Statements
S26;S39
Transport
UN 1805 8/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:212.266261g/mol
  • Molecular Formula:C15H19N3O3S
  • Exact Mass:211.844541
  • Monoisotopic Mass:211.844541
  • Complexity:36.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:86.2
  • Heavy Atom Count:8
  • 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:4
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