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Home> Hot Product Listed Z   > Z46052067
25333-42-0 structure

Z46052067

Iupac Name:(3R)-1-azabicyclo[2.2.2]octan-3-ol
CAS No.:25333-42-0
Molecular Weight:127.18422
Molecular Formula:C24H25N3O3 (isomer)
Names and Identifiers
Synonyms

3-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-6-chloro-1h-indol-2-one 3-{[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene}-6-chloro-2,3-dihydro-1h-indol-2-one AC1N38N8 AKOS030655183 MCULE-3909442601

Inchi
InChI=1/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
Canonical Smiles
C1CN2CCC1C(C2)O
Isomers Smiles
C1CN2CCC1[C@H](C2)O
Properties
Melting Point
217-224℃
Vapour
0.0545mmHg at 25°C
Refractive Index
1.549
Alpha
-44.5 o (C=3, 1N HCL)
Safety and Handling
Risk Statements
R11;R34
Safety Statements
S16;S26;S36/37/39;S45
Transport
3263
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
cordenpharma chenove 2017
CU Chemie Uetikon GmbH 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1C

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful 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+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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:127.18422g/mol
  • Molecular Formula:C24H25N3O3
  • Exact Mass:127.099714
  • Monoisotopic Mass:127.099714
  • Complexity:108
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.5
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Tel:86-21-33758180
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  • Tel:86-571-87758773
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