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Home › Product Catalog › 2-Bromo-2-nitro-1,3-propanediol

2-Bromo-2-nitro-1,3-propanediol

CAS 52-51-7C3H6BrNO4MW 198.95 g/mol

2-Bromo-2-nitro-1,3-propanediol (CAS 52-51-7) — formula C3H6BrNO4, molecular weight 198.95 g/mol.

Product Overview

CAS Number52-51-7
Molecular FormulaC3H6BrNO4
Molecular Weight198.95 g/mol
Melting Point266 to 271 °F (NTP, 1992)
Boiling Point305.1 °F at 760 mmHg (NTP, 1992)
LogP-0.6

Technical Profile

What this product is

2-Bromo-2-nitro-1,3-propanediol is a chemical compound with CAS registry number 52-51-7 and molecular formula C3H6BrNO4 (molecular weight 198.95 g/mol).

Identification

CAS number: 52-51-7

Its molecular formula C3H6BrNO4 comprises 3 C, 6 H, 1 Br, 1 N, 4 O atoms.

Also known as: 2-Bromo-2-nitro-1,3-propanediol · 溴硝醇 · Bronopol

Frequently Asked Questions

What is the CAS number of 2-Bromo-2-nitro-1,3-propanediol?

The CAS registry number of 2-Bromo-2-nitro-1,3-propanediol is 52-51-7.

What is the molecular formula and molecular weight of 2-Bromo-2-nitro-1,3-propanediol?

Molecular formula C3H6BrNO4, molecular weight 198.95 g/mol.

What other names is 2-Bromo-2-nitro-1,3-propanediol known by?

It is also registered under: 2-Bromo-2-nitro-1,3-propanediol, 溴硝醇, Bronopol.

PubChem Public Data

Independent reference data for 2-Bromo-2-nitro-1,3-propanediol (CAS 52-51-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number52-51-7
PubChem CID2450
Molecular formulaC3H6BrNO4
IUPAC name2-bromo-2-nitropropane-1,3-diol
UNII (FDA)6PU1E16C9W

Computed descriptors

Molecular Weight199.99
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass198.94802
Monoisotopic Mass198.94802
Topological Polar Surface Area86.3
Heavy Atom Count9

Physicochemical values on record

Boiling Point305.1 °F at 760 mmHg (NTP, 1992)
Boiling Point130
Melting Point266 to 271 °F (NTP, 1992)
Melting Point123-130
Melting Point131.5 °C
Melting Point120-122 °C
Flash Point167 °C
Solubility25-25g/100mL at 22°C
SolubilityIn water, 2.5X10+5 mg/L at 22 °C
Vapor Pressure1.2601e-05 mmHg at 68 °F (NTP, 1992)

Documented uses on record

    CIR ingredient: 2-Bromo-2-Nitropropane-1,3-DiolBronopol is a preservative and antiseptic used in cosmetics and topical medications. It is used as a preservative in paints, textiles, cooling towers, humidifiers, and hide processing. [Marks, p. 136-7] Used in cleaning agents, paints, cosmetics, glues, paper mills, water systems, metalworking fluids, polishes, and printing inks; [Kanerva, p. 405]

    Synonyms and trade names

    bronopol; 52-51-7; 2-Bromo-2-nitro-1,3-propanediol; 2-Bromo-2-nitropropane-1,3-diol; Bronosol; Bronocot; Bronotak; Bronidiol; Bronopolu; Lexgard bronopol; Onyxide 500; Bronopolum; 1,3-Propanediol, 2-bromo-2-nitro-; 2-Nitro-2-bromo-1,3-propanediol; DTXSID8024652; beta-Bromo-beta-nitrotrimethyleneglycol

    Regulatory listings held on file

    Regulatory & Food ContactFDA Cumulative Estimated Daily Intake (CEDI): FCS
    FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
    FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS
    2-Bromo-2-nitro-1,3-propanediol (CAS Reg. No. 52-51-7)
    As a preservative for boiler water additive formulations.
    For use only as a preservative in boiler water additive formulations. The food-contact substance shall be adde
    GHS notification summary0.1% (1 / 2149)

    GHS hazard classification

    GHS notification summary0.1% (1 / 2149)
    Reported hazard statementsH302, H312, H315, H318, H335, H400, H301 (14.4%), H331 (10%)

    H302: Harmful if swallowed [Warning Acute toxicity, oral]

    H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

    What the public record says

    Bronopol · CAS 52-51-7 · C3H6BrNO4. UNII 6PU1E16C9W. Boiling Point: 305.1 °F at 760 mmHg (NTP, 1992); Boiling Point: 130; Melting Point: 266 to 271 °F (NTP, 1992).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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