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Home> Encyclopedia > Hot Product Listed 5   > 5b,8b-Etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylicanhydride, 17b-acetyl-1,2,3,4,6a,7a,10,12...
17630-75-0 structure

5b,8b-Etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylicanhydride, 17b-acetyl-1,2,3,4,6a,7a,10,12,13,14a,16,17-dodecahydro-3b-hydroxy-10b,13b-dimethyl-, acetate (8CI)

Iupac Name:5-chloro-1,3-dihydroindol-2-one
CAS No.:17630-75-0
Molecular Weight:167.59234
Molecular Formula:C5H6N2O2 (isomer)
Names and Identifiers
Synonyms

(acetyl-dimethyl-dioxo-[?]yl) acetate 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]p 3b,12b-etheno-4h-cyclopenta[1,2]phenanthro[9,10-c]furan-1,3-dione, 10-acetyl-5-(acetyloxy)-3a,5,6,7,7a,9,9a,10,11,12,12a,12c-dodecahydro-7a,9a-dimethyl- AC1L58W5 nsc3348 nsc-3348

Inchi
InChI=1/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Canonical Smiles
C1C2=C(C=CC(=C2)Cl)NC1=O
Properties
Density
1.189
Melting Point
194-197℃
Boiling Point
612.6°C at 760 mmHg
Vapour
0.00881mmHg at 25°C
Refractive Index
1.663
Flash Point
105 °F
HS Code
29339900
Safety and Handling
Risk Statements
R22;R36/37/38;R43;R62
Safety Statements
S24;S36/37/39;S45
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Reproductive toxicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H361 Suspected of damaging fertility or the unborn child

H412 Harmful 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.

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:167.59234g/mol
  • Molecular Formula:C5H6N2O2
  • XLogP3-AA:1.8
  • Exact Mass:167.013792
  • Monoisotopic Mass:167.013792
  • Complexity:183
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:29.1
  • Heavy Atom Count:11
  • 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
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Recommended Suppliers
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  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
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