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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-
1758-46-9 structure

5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-2-methoxy-

Iupac Name:2-phenoxyethanamine
CAS No.:1758-46-9
Molecular Weight:137.182
Molecular Formula:C10H10N2 (isomer)
Names and Identifiers
Synonyms

2-methoxy-6 pound not7 pound not8 pound not9-tetrahydro-benzocyclohepten-5-one 2-methoxy-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one 2-methoxy-6,7,8,9-tetrahydro-5h-benzo[a]cyclohepten-5-one 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one 2-methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one 2-methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one 2-methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one, aldrichcpr 2-methoxy-6,7,8,9-tetrohydro-benzocyclohepten-5-one 3-methoxy-5,6,7,8-tetrahydro-benzo[7]annulen-9-one 4CH-013583 500m658 6,7,8,9-tetrahydro-2-methoxy-5h-benzocyclohepten-5-one 7-Methoxybenzosuberone AB0007153 AC1L6GVC AC-6308 ACT02931 AJ-52690 AK-44733 AKOS006343492 AN-10170 ANW-48029 AS06648 BR-44733 CJ-12348 CM-810 DTXSID10295809 FS-2264 FT-0630032 J-509839 KB-24953 mfcd07369971 MOLPORT-002-499-602 NSC 105616 nsc105616 nsc-105616 OR029019 PUBCHEM6355 RP24999 S-5498 SC-84665 SCHEMBL1495967 TC-136774 V0502 WLRMIOGKWITDNU-UHFFFAOYSA-N

Inchi
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChkey
IMLAIXAZMVDRGA-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)OCCN
Properties
Appearance
yellow crystals
Boiling Point
550.2°Cat760mmHg
Vapour
0.0665mmHg at 25°C
Refractive Index
1.537
Flash Point
238.3°C
HS Code
29221990
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 2735
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

Response

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

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

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:137.182g/mol
  • Molecular Formula:C10H10N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:137.084
  • Monoisotopic Mass:137.084
  • Complexity:79.3
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:10
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAThkAYwBoBABACA ACBCAAACCAAgIAAIiIAGCIgOJiKEMRqDOCCk0BEIqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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