5-Bromo-1-methyl-1H-1,3-benzodiazole

C₈H₇BrN₂CAS 53484-15-4211.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₇BrN₂
Molar mass: 211.06 g/mol
Exact mass: 209.9793 Da
logP: 2.34Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53484-15-4

SMILES

CN1C=NC2=C1C=CC(=C2)Br

InChIKey

KMJMDIYGNFGEEO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Bromo-1-methyl-1H-benzo[D]imidazole

Work with 5-Bromo-1-methyl-1H-1,3-benzodiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methylbenzimidazole1632-83-353 % similar 5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole944718-31-450 % similar 5-Bromo-1-methyl-1H-indole10075-52-249 % similar 1-Methyl-1H-benzimidazol-6-amine26530-93-846 % similar 6-Bromoquinoxaline50998-17-942 % similar 5-Bromo-1-methyl-1H-indazole465529-57-142 % similar 6-Bromo-2-methyl-2H-indazole590417-95-142 % similar 5-Bromobenzothiazole768-11-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 7-Bromo-1-methyl-1H-indazole1000576-59-9 5-Bromo-4-methyl-1H-indazole1082041-34-6 5-Bromo-3-methyl-7-azaindole1111637-94-5 2-Methyl-5-bromo-7-azaindole1111638-02-8 7-Bromo-3-methyl-1H-indazole1159511-75-7 4-Bromo-1-methyl-1H-1,3-benzodiazole1353679-63-6 5-Bromo-7-methyl-1H-indazole156454-43-2

Elsewhere

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