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Home> Hot Product Listed 9   > 9H-Carbazole,9-(4-bromophenyl)-
57102-42-8 structure

9H-Carbazole,9-(4-bromophenyl)-

Iupac Name:9-(4-bromophenyl)carbazole
CAS No.:57102-42-8
Molecular Weight:322.205
Molecular Formula:C18H12BrN (isomer)
Properties
Density
1.39
Boiling Point
452.7 °C at 760 mmHg
Refractive Index
1.672
Flash Point
452.7 °C at 760 mmHg
Safety and Handling
Specification

The 9-(4-Bromophenyl)carbazole, with the CAS registry number 57102-42-8, is also known as N-(4-bromophenyl)carbazole. This chemical's molecular formula is C18H12BrN and formula weight is 322.20. What's more, both its IUPAC name and systematic name are the same which is called 9-(4-Bromophenyl)carbazole.

Physical properties about this chemical are: (1)ACD/LogP: 6.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.97; (4)ACD/LogD (pH 7.4): 6.97; (5)ACD/BCF (pH 5.5): 116447.37; (6)ACD/BCF (pH 7.4): 116447.37; (7)ACD/KOC (pH 5.5): 147202.06; (8)ACD/KOC (pH 7.4): 147202.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 86.81 cm3; (14)Molar Volume: 231.6 cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 227.6 °C; (18)Enthalpy of Vaporization: 71.19 kJ/mol; (19)Boiling Point: 452.7 °C at 760 mmHg; (20)Vapour Pressure: 2.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br
(2)InChI: InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
(3)InChIKey: XSDKKRKTDZMKCH-UHFFFAOYSA-N

Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 57102-42-8 EC: 9H-Carbazole,9-(4-bromophenyl)- ·ECHA C&L Inventory for CAS: CAS: 57102-42-8 EC: 9H-Carbazole,9-(4-bromophenyl)-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

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

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:322.205g/mol
  • Molecular Formula:C18H12BrN
  • Compound Is Canonicalized:True
  • Exact Mass:321.015
  • Monoisotopic Mass:321.015
  • Complexity:314
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:4.9A^2
  • Heavy Atom Count:20
  • 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: AAADccB6AAAAEAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB/AAAHABAAAABrAiBHgAwwPMMEACg AyRiRACCgCAhAiQImCAwZLgIIOLAkZGEIAhggADIyhcQgMAOgAAgAAACAAAAAEAAAAQAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
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  • Fax:86-21-51685790
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Fax:86-1732-7098554
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