Basic information
- CAS
20357-20-4- Standard SMILES
O=Cc1cc(Br)ccc1[N+](=O)[O-]- InChIKey
UFRVBZVJVRHSNR-UHFFFAOYSA-N- Molecular formula
- C7H4BrNO3
- Average molar mass
- 230.02 g/mol
- Monoisotopic mass
- 228.93745509
Names & identifiers
- Preferred name
- 5-Bromo-2-nitrobenzaldehyde
- IUPAC
- 5-bromo-2-nitrobenzaldehyde
- English name
- 2-NITRO 5-BROMO-BENZALDEHYDE
- Molecular formula
- C7H4BrNO3
- Molecular weight
- 230.02
Names & synonyms
5-Bromo-2-nitrobenzaldehydeBenzaldehyde, 5-bromo-2-nitro-NSC 107452BRN 24432552-07-00-00204 (Beilstein Handbook Reference)DTXSID70174267RefChem:102147DTXCID2096758692-651-8UFRVBZVJVRHSNR-UHFFFAOYSA-N20357-20-45-bromo-2-nitro-benzaldehyde
Show more names
CU487500005-Bromo-2-nitrobenzaL2-NITRO 5-BROMO-BENZALDEHYDE5-Bromo-2-nitrobenzaldehyde >2-Nitro 5-Bromo-Benzaldehyde,>97%
2-Nitro-5-bromobenzaldehydeMFCD00456508SCHEMBL90223-bromo-6-nitrobenzaldehydeAKOS005257092AB06044C19H21ClN25-Bromo-2-nitrobenzaldehyde; NSC 107452
Database identifiers
- CAS
20357-20-4- PubChem CID
- 97233
- DTXSID
DTXSID70174267- EC Number
- 692-651-8
- Nikkaji
- J54.603H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 71 to · 71.0 to 75.0 °C
- Boiling point
- 330.5 · 330.5±27.0 °C(Predicted)
- Density
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light red to Green
- λmax
- 276 nm · 276nm(CH3CN)(lit.)
- InChI
- InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
- InChIKey
- UFRVBZVJVRHSNR-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(Br)=CC=C1[N+]([O-])=O
- CAS DataBase Reference
- 20357 · 20357-20-4
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
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- rtecs
- CU4875000
- hs_code
- 2913000090
- Toxicity
- mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07008,
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Bromo-5-nitrobenzaldehyde is a cholesteryl ester transfer protein (CETP) inhibitor. 2-Bromo-5-nitrobenzaldehyde is a commonly used reactant for the synthesis of (-)-Linarinic acid derivatives as neuroprotective agents against oxygen glucose deprivation (OGD)-induced cell damage.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
34 records
Compound notes
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