Basic information
- CAS
598-91-4- Standard SMILES
O=[N+]([O-])C(Br)Br- InChIKey
GQEVYCCMYUNRHJ-UHFFFAOYSA-N- Molecular formula
- CHBr2NO2
- Average molar mass
- 218.83 g/mol
- Monoisotopic mass
- 216.83740247
Names & identifiers
- Preferred name
- Dibromonitromethane
- IUPAC
- dibromo(nitro)methane
- English name
- DIBROMONITROMETHANE
- Molecular formula
- CHBr2NO2
- Molecular weight
- 218.83
Names & synonyms
DibromonitromethaneMethane, dibromonitro-DTXSID9021637CCRIS 9510DTXCID001637RefChem:132909690-866-1GQEVYCCMYUNRHJ-UHFFFAOYSA-N598-91-4dibromo(nitro)methaneNitrodibromomethaneNitrodibromomethane; Dibromo-nitromethane
Show more names
ibromo(nitro)methanedibromonitromethane CHBr2NO2
Dibromonitromethane (>90%)SCHEMBL1778868CHEMBL1309179Tox21_200899NCGC00091486-01NCGC00091486-02NCGC00091486-03NCGC00258453-01
Database identifiers
- CAS
598-91-4- PubChem CID
- 69026
- DTXSID
DTXSID9021637- ChEMBL
CHEMBL1309179- EC Number
- 690-866-1
- Nikkaji
- J79.695F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 57.1
Physicochemical properties
- Boiling point
- 116 °C · 116 °C(Press: 20 Torr)
- Density
- 2.587 · 2.587
- solubility
- Dichloromethane (Soluble), Methanol (Sparingly)
- pka
- -0.76 · -0.76±0.50(Predicted)
- form
- Oil
- color
- Colourless to Pale Yellow
- EPA Substance Registry System
- Methane, dibromonitro- (598-91-4)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H317-H312-H315-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H330-H317-H312-H315-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Applications
UsesA nitrogenous disinfection byproducts (N-DBPs) found in drinking water. Mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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