Ethyl 2-bromothiazole-4-carboxylate

C₆H₆BrNO₂SCAS 100367-77-9236.08 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₆BrNO₂S
Molar mass: 236.08 g/mol
Exact mass: 234.9303 Da
logP: 2.08Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 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

100367-77-9

SMILES

CCOC(=O)C1=CSC(=N1)Br

InChIKey

CNHISCQPKKGDPO-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 2-bromo-1,3-thiazole-4-carboxylate

Work with Ethyl 2-bromothiazole-4-carboxylate

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

Methyl 2-bromothiazole-4-carboxylate170235-26-467 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-565 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-663 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-354 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-654 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-454 % similar Ethyl 6-bromopicolinate21190-88-554 % similar Ethyl 2-bromo-1,3-oxazole-4-carboxylate460081-20-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-bromothiazole-5-carboxylate41731-83-3 Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-7 4-Bromobenzenesulfonamide701-34-8 3-Bromobenzene-1-sulfonamide89599-01-9 2-Bromobenzenesulfonamide92748-09-9

Elsewhere

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