Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 2   > 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}ethan-1-ol
327-57-1 structure

2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}ethan-1-ol

Iupac Name:(2S)-2-aminohexanoic acid
CAS No.:327-57-1
Molecular Weight:131.17300
Molecular Formula:C11H13NO (isomer)
Names and Identifiers
Synonyms

2-([(4-bromo-2-fluorophenyl)methyl]sulfanyl)ethan-1-ol 2-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}ethanol AC1Q7DBA AKOS008105097 EN300-65813 MCULE-5260463716 MOLPORT-011-284-246 NE28461 Z292821910 ZINC35189237

Inchi
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChkey
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
Canonical Smiles
CCCCC(C(=O)O)N
Properties
Melting Point
300ºC
Refractive Index
23 ° (C=5, 5mol/L HCl)
Alpha
22 º (C=2, 6N HCL)
HS Code
29224995
Safety and Handling
Risk Statements
R43
Safety Statements
S22-S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

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.

Response

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.

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:131.17300g/mol
  • Molecular Formula:C11H13NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.5
  • Exact Mass:131.095
  • Monoisotopic Mass:131.095
  • Complexity:93.1
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCABAAgAI AACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAAGYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
<