9-Bromononanoic acid

C₉H₁₇BrO₂CAS 41059-02-3237.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₉H₁₇BrO₂
Molar mass: 237.14 g/mol
Exact mass: 236.0412 Da
Melting point: 36–36.5 °C
Boiling point: 160–161 °C (at 2 Torr)
logP: 3.20Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 8

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

41059-02-3

SMILES

O=C(O)CCCCCCCCBr

InChIKey

XEGRKZRPTBNSMN-UHFFFAOYSA-N

InChI

InChI=1S/C9H17BrO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

Nonanoic acid, 9-bromo-

Work with 9-Bromononanoic acid

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

17-Bromoheptadecanoic acid13099-35-9100 % similar 8-Bromooctanoic acid17696-11-6100 % similar 16-Bromohexadecanoic acid2536-35-8100 % similar 11-Bromoundecanoic acid2834-05-1100 % similar 7-Bromoheptanoic acid30515-28-7100 % similar 6-Bromohexanoic acid4224-70-8100 % similar 10-Bromodecanoic acid50530-12-6100 % similar 12-Bromododecanoic acid73367-80-3100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 8-bromooctanoate26825-92-3 Ethyl 7-bromoheptanoate29823-18-5 Methyl 2-bromooctanoate5445-22-7

Elsewhere

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