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Home> Hot Product Listed T   > T0514-1938
9002-01-1 structure

T0514-1938

CAS No.:9002-01-1
Molecular Weight:389.50838
Molecular Formula:C20H18BR2N2O3 (isomer)
Names and Identifiers
Synonyms

[(4-chloro-2-nitrophenyl)carbamoyl]methyl 3-chloroadamantane-1-carboxylate [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate AB01324967-02 AC1MN920 MCULE-4129288883 MOLPORT-004-013-779 Z19243883

Inchi
InChI=1/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)
Canonical Smiles
C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
Properties
Refractive Index
1.517
Safety and Handling
Risk Statements
36/37/38
Safety Statements
22-24/25-36-26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9002-01-1 EC: T0514-1938 ·ECHA C&L Inventory for CAS: CAS: 9002-01-1 EC: T0514-1938
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

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

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

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

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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:389.50838g/mol
  • Molecular Formula:C20H18BR2N2O3
  • Exact Mass:389.166079
  • Monoisotopic Mass:389.166079
  • Complexity:426
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8
  • Heavy Atom Count:27
  • 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:2
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