2-Bromopropan-1-ol

HCID 11713

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Basic information

CAS: 598-18-5
Standard SMILES: CC(Br)CO
InChIKey: DBTWOTKWIVISQR-UHFFFAOYSA-N
Molecular formula: C3H7BrO
Average molar mass: 138.99 g/mol
Monoisotopic mass: 137.96802694

Names & identifiers

Preferred name: 2-Bromopropan-1-ol
IUPAC: 2-bromopropan-1-ol
English name: 2-bromopropan-1-ol
Molecular formula: C3H7BrO
Molecular weight: 138.99

Names & synonyms

2-Bromopropan-1-ol598-18-52-BROMO-1-PROPANOLEINECS 209-921-4DTXSID80975207RefChem:467298DTXCID90892799209-921-41-propanol, 2-bromo-MFCD000786632-bromopropanolVerapamil Impurity 23

Show more names

2-Bromopropan-1-ol - [B70312]2-bromopropan-1-ol ISO 9001：2015 REACH

1-Propanol, 2-bromo-(6CI,8CI,9CI)(+/-)-2-Bromo-1-propanol2-bromo-propanol(+/-)-2-Bromo-1-propanol; 1-Hydroxy-2-bromopropane; 2-Bromo-1-propanol; 2-Bromopropanol; 2-Hydroxy-1-methylethyl bromide2-bromo propan-1-ol2-bromo-propan-1-olTQP36SC7ME(R)-2-Bromo-1-propanol

Database identifiers

CAS: 598-18-5
PubChem CID: 11713
DTXSID: DTXSID80975207
UNII: TQP36SC7ME
EC Number: 209-921-4
Nikkaji: J252.486D

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 22.9

Physicochemical properties

Boiling point: 64 · 64-65 °C(Press: 25 Torr)
Density: 1.5551 g/cm3 · 1.5551 g/cm3(Temp: 30 °C)
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Sparingly), Methanol (Slightly)
pka: 13.89 · 13.89±0.10(Predicted)
form: Oil
color: Colourless
InChI: InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3
InChIKey: DBTWOTKWIVISQR-UHFFFAOYSA-N
SMILES: C(O)C(Br)C
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02,GHS07
Hazard statements: H226-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362