CAS 118599-27-2 N-benzyl-3,6-dibromocarbazole (HCID 2802035)

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Basic information

CAS: 118599-27-2
Standard SMILES: Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1
InChIKey: QVFWRFBJSIUPAD-UHFFFAOYSA-N
Molecular formula: C19H13Br2N
Average molar mass: 415.1 g/mol
Monoisotopic mass: 412.94147

Names & identifiers

Preferred name: N-benzyl-3,6-dibromocarbazole
IUPAC: 9-benzyl-3,6-dibromocarbazole
English name: 9-Benzyl-3,6-dibroMocarbazole
Molecular formula: C19H13Br2N
Molecular weight: 415.12

Names & synonyms

118599-27-2N-benzyl-3,6-dibromocarbazoleDTXSID00384337RefChem:363302DTXCID203353619-benzyl-3,6-dibromocarbazole9-benzyl-3,6-dibromo-9H-carbazole9H-Carbazole, 3,6-dibromo-9-(phenylmethyl)-MFCD00218292SCHEMBL2244878B4348CS-0132170

Show more names

9-Benzyl-3,6-dibromocarbazole >3,6-Dibromo-9-(phenylmethyl)-9H-carbazole

C715963,6-Dibromo-9-benzyl-9H-carbazole9-benzyl-3,6-dibromo-carbazoleA926985SCHEMBL31222301AKOS026671313DS-10059SY055713

Database identifiers

CAS: 118599-27-2
PubChem CID: 2802035
DTXSID: DTXSID00384337
Nikkaji: J629.486C

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 356

Physicochemical properties

Melting point: 160 to · 160.0 to 164.0 °C
Boiling point: 541.9 · 541.9±50.0 °C(Predicted)
Density: 1.59 · 1.59±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow
λmax: 357 nm · 357nm(CH3CN)(lit.)
InChI: InChI=1S/C19H13Br2N/c20-14-6-8-18-16(10-14)17-11-15(21)7-9-19(17)22(18)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey: QVFWRFBJSIUPAD-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2
CAS DataBase Reference: 118599 · 118599-27-2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338