bromo(2H)

• ChemBase ID: 136540
• Molecular Formular: BrH
• Molecular Mass: 80.91194
• Monoisotopic Mass: 79.92616203
• SMILES: Br
• Canonical SMILES: Br
• InChI: InChI=1S/BrH/h1H
• InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(^2H)
• IUPAC Traditional name: bromo(^2H)
• Synonyms: DBr solution; Deuterium bromide solution; Hydrogen bromide, deuterated; Deuterium bromide; 溴化氘 溶液; 溴化氘

Database IDs

• CAS Number: 13536-59-9
• EC Number: 236-894-6
• MDL Number: MFCD00044232
• PubChem SID: 24850595; 162230810; 24872176
• PubChem CID: 518779

CALCULATED PROPERTIES

• Acid pKa: -8.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0182534
• LogD (pH = 7.4): 1.0182534
• Log P: 0.797834
• Molar Refractivity: 9.3991 cm^3
• Polarizability: 3.849749 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid, in clear glass ampoules
• Melting Point: -87 °C(lit.)
• Boiling Point: 126 °C(lit.); 126°C; -67 °C(lit.)
• Flash Point: 176 °F; 80 °C
• Density: 1.537 g/mL at 25 °C
• Vapor Pressure: 334.7 psi ( 21 °C)
• Vapor Density: 2.71 (20 °C, vs air)
• Mass Shift: M+1

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 1788; 3265; UN1788
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 23/24/25-34; 23/24/25-35; 34-37
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45; 7/9-26-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331; H314-H318-H335; H314-H331-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 1788 8/PG 2; UN 3265 8/PG 2

Product Information

• Purity: 48% w/w in D2O, 99+% (Isotopic)
• Concentration: 30-35 wt. % in acetic acid-d4; 47 wt. % in D2O
• Isotopic Purity: 98 atom % D; 99 atom % D
• Mol. Weight: mol wt 81.90 by atom % calculation
• Linear Formula: DBr; DBr/D2O

DETAILS

Sigma Aldrich - 486515

Packaging
5 L in steel cylinder
Lecture bottle with SS CGA 110/180 valve
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Recommended products
Monel control valve Z146978 or Monel gas regulator Z562483 is recommended.

Sigma Aldrich - 176710

Packaging
5, 25, 50 g in glass bottle

Sigma Aldrich - 699039

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.