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Home> Hot Product Listed 3   > (3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1...
2643-07-4 structure

(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one

Iupac Name:4-[2-chloroethyl(ethyl)amino]benzaldehyde
CAS No.:2643-07-4
Molecular Weight:211.689
Molecular Formula:C7H9NO3 (isomer)
Names and Identifiers
Synonyms

(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one AC1L2ZZT Reaxys ID: 4357880 sch 39185 sch-39185

Inchi
InChI=1S/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3
InChkey
MFUFJCIFNHFEDW-UHFFFAOYSA-N
Canonical Smiles
CCN(CCCl)C1=CC=C(C=C1)C=O
Properties
Vapour
7.71E-05mmHg at 25°C
Refractive Index
1.584
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  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2012
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H400 Very toxic to aquatic life

H410 Very toxic 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.

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

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

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P391 Collect spillage.

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:211.689g/mol
  • Molecular Formula:C7H9NO3
  • Compound Is Canonicalized:True
  • Exact Mass:211.076
  • Monoisotopic Mass:211.076
  • Complexity:167
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:20.3A^2
  • Heavy Atom Count:14
  • 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: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIAAAAADAvhmEYywIMAAACI AixSwACCAAAlAgAIiAEIZMgIIDLAlZHEIQhggADIyYcYiQCeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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