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Home> Hot Product Listed X   > X-Factor
253449-04-6 structure

X-Factor

Iupac Name:1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
CAS No.:253449-04-6
EINECS(EC#): 259-960-6
Molecular Weight:426.152
Molecular Formula:C24H23CLN2O3 (isomer)
Names and Identifiers
Synonyms

hexachlorocyclohexane x-factor

Inchi
InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChkey
XUBJEDZHBUPBKL-UHFFFAOYSA-N
Canonical Smiles
CN(C)CC(CN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br)O
Properties
Density
g/cm3
Melting Point
153-155ºC
Vapour
0.000134mmHg at 25°C
Refractive Index
1.657
Flash Point
469.8°C
Safety and Handling
Hazard Note
H301; H413
Transport
UN3259
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 253449-04-6 EC: 259-960-6 X-Factor ·ECHA C&L Inventory for CAS: CAS: 253449-04-6 EC: 259-960-6 X-Factor
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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.

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:426.152g/mol
  • Molecular Formula:C24H23CLN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:425.977
  • Monoisotopic Mass:423.979
  • Complexity:356
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:28.4A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7IAAAGAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB/AAAHgBACAABrBzhngYywPMMEgCg AyRiRACCgCAhAiQI2CA4ZLgKMOLA0ZGEIAhggADYyhcQgMAOgAAgEAACAAAAAEAgAAQAAAAAAAAA AA==
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