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Home> Hot Product Listed B   > Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
2135-17-3 structure

Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-

Iupac Name:(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,
17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-3-one
CAS No.:2135-17-3
Molecular Weight:410.451526
Molecular Formula:C13H19BRO (isomer)
Names and Identifiers
Synonyms

(2R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl bromide (R)-4-[2-(BroMoMethyl)-3-Methylbutyl]-1-Methoxy-2-(3-Methoxypropoxy)benzene 1-Methoxy-2-(3-methoxypropoxy)-4-[(3-bromo-(2R)-isopropyl)propyl]benzene -1-methoxybenzene 2-(3-Methoxypropoxy) 2-(3-METHOXYPROPOXY)-4-((4R)-2-(BROMOMETHYL)-3-METHYLBUTYL)-1-METHOXYBENZENE 2-(3-Methoxypropoxy)-4-((R)-2-(broMoMethyl)-3 2-(3-methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene 4-(2-(bromomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene 4-[(2R)-2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)- Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-

Inchi
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
Canonical Smiles
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
Isomers Smiles
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@
]1(C(=O)CO)O)C)O)F)C)F
Properties
Density
1.05
Melting Point
237-240°C
Boiling Point
345.034 °C at 760 mmHg
Vapour
2.33E-15mmHg at 25°C
Refractive Index
1.579
Flash Point
381.217°C
Safety and Handling
Risk Statements
R40
Safety Statements
S22;S36
Specification

 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene , its cas register number is 172900-69-5. It also can be called 4-[(2R)-2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene ; and Benzene, 4-[(2R)-2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)- .

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
Farmabios Spa 2015
Glaxo Operations UK 2015
NEWCHEM S.P.A. 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

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

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

Response

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:410.451526g/mol
  • Molecular Formula:C13H19BRO
  • XLogP3-AA:1.9
  • Exact Mass:410.19048
  • Monoisotopic Mass:410.19048
  • Complexity:839
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:94.8
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:9
  • 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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