3-Bromo-1-propanol

C₃H₇BrOCAS 627-18-9138.99 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₇BrO
Molar mass: 138.99 g/mol
Exact mass: 137.9680 Da
Density: 1.5374 g/mL (at 20 °C)
Boiling point: 105 °C
Flash point: 93.9 °C
Water solubility: 50–100 g/L (21.1 °C)
logP: 0.76Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed78.4% of notifiers
H315 Causes skin irritation21.6% of notifiers
H318 Causes serious eye damage78.4% of notifiers
H319 Causes serious eye irritation21.6% of notifiers
H335 May cause respiratory irritation15.7% of notifiers

Aggregated from 51 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

627-18-9

SMILES

OCCCBr

InChIKey

RQFUZUMFPRMVDX-UHFFFAOYSA-N

InChI

InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

Weigh it out

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

Names and synonyms

7 names

1-Propanol, 3-bromo-
Trimethylene bromohydrin
3-Hydroxypropyl bromide
1-Bromo-3-propanol
1-Bromo-3-hydroxypropane
3-Bromopropyl alcohol
3-Bromopropane-1-ol

Work with 3-Bromo-1-propanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1-butanol33036-62-380 % similar 7-Bromo-1-heptanol10160-24-475 % similar 13-Bromo-1-tridecanol116754-58-675 % similar 11-Bromo-1-undecanol1611-56-975 % similar 12-Bromo-1-dodecanol3344-77-275 % similar 5-Bromo-1-pentanol34626-51-275 % similar 6-Bromo-1-hexanol4286-55-975 % similar 8-Bromo-1-octanol50816-19-875 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-propanol19686-73-8 Bromoethyl methyl ether6482-24-2 Amberlyst 159037-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook