N-(4-Bromophenyl)benzo[d]thiazol-2-amine

HCID 234496

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6278-86-0
Standard SMILES: Brc1ccc(Nc2nc3ccccc3s2)cc1
InChIKey: VNHLHHAXIJZPQO-UHFFFAOYSA-N
Molecular formula: C13H9BrN2S
Average molar mass: 305.19 g/mol
Monoisotopic mass: 303.96698

Names & identifiers

Preferred name: N-(4-Bromophenyl)benzo[d]thiazol-2-amine
IUPAC: N-(4-bromophenyl)-1,3-benzothiazol-2-amine
English name: Iflab-bb F1285-0798
Molecular formula: C13H9BrN2S
Molecular weight: 305.19

Names & synonyms

N-(4-Bromophenyl)benzo[d]thiazol-2-amine6278-86-0N-(4-bromophenyl)-1,3-benzothiazol-2-amineIFLAB-BB F1285-0798C13H9BrN2SNSC34473MFCD03460423SCHEMBL1752748DTXSID80283955VNHLHHAXIJZPQO-UHFFFAOYSA-NNSC-34473AKOS005067287

Show more names

2-Benzothiazolamine, N-(4-bromophenyl)-Benzothiazol-2-yl-(4-bromo-phenyl)-amine

N-(4-bromophenyl)-2-benzothiazolamineBS-17311CS-0155907D82546N2-(4-bromophenyl)-1,3-benzothiazol-2-amineF235452N-(1,3-BENZOTHIAZOL-2-YL)-N-(4-BROMOPHENYL)AMINE

Database identifiers

CAS: 6278-86-0
PubChem CID: 234496
DTXSID: DTXSID80283955
Nikkaji: J2.312.607I

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 256

Physicochemical properties

Melting point: 213 · 213-215 °C
Boiling point: 416.6 · 416.6±47.0 °C(Predicted)
Density: 1.619 · 1.619±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 2.6 · 2.60±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS08,GHS02
Signal word: Danger
Hazard statements: 319 · H319-H360-H370-H372-H335-H336-H225
Precautionary statements: 501 · P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS02
Hazard statements: H319-H360-H370-H372-H335-H336-H225
Precautionary statements: P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405