2-Bromo-2-nitro-1,3-propanediol (CAS 52-51-7) — formula C3H6BrNO4, molecular weight 198.95 g/mol.
| CAS Number | 52-51-7 |
|---|---|
| Molecular Formula | C3H6BrNO4 |
| Molecular Weight | 198.95 g/mol |
| Melting Point | 266 to 271 °F (NTP, 1992) |
| Boiling Point | 305.1 °F at 760 mmHg (NTP, 1992) |
| LogP | -0.6 |
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).
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
The CAS registry number of 2-Bromo-2-nitro-1,3-propanediol is 52-51-7.
Molecular formula C3H6BrNO4, molecular weight 198.95 g/mol.
It is also registered under: 2-Bromo-2-nitro-1,3-propanediol, 溴硝醇, Bronopol.
Independent reference data for 2-Bromo-2-nitro-1,3-propanediol (CAS 52-51-7), compiled from public chemistry databases.
| CAS Registry Number | 52-51-7 |
|---|---|
| PubChem CID | 2450 |
| Molecular formula | C3H6BrNO4 |
| IUPAC name | 2-bromo-2-nitropropane-1,3-diol |
| UNII (FDA) | 6PU1E16C9W |
| Molecular Weight | 199.99 |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.94802 |
| Monoisotopic Mass | 198.94802 |
| Topological Polar Surface Area | 86.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 305.1 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 130 |
| Melting Point | 266 to 271 °F (NTP, 1992) |
| Melting Point | 123-130 |
| Melting Point | 131.5 °C |
| Melting Point | 120-122 °C |
| Flash Point | 167 °C |
| Solubility | 25-25g/100mL at 22°C |
| Solubility | In water, 2.5X10+5 mg/L at 22 °C |
| Vapor Pressure | 1.2601e-05 mmHg at 68 °F (NTP, 1992) |
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 & Food Contact | FDA 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 summary | 0.1% (1 / 2149) |
| GHS notification summary | 0.1% (1 / 2149) |
|---|---|
| Reported hazard statements | H302, 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]
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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 溴硝醇