Basic information
- CAS
5274-71-5- Standard SMILES
O=Cc1ccc([N+](=O)[O-])cc1Br- InChIKey
XKDLLBUNDADXAA-UHFFFAOYSA-N- Molecular formula
- C7H4BrNO3
- Average molar mass
- 230.02 g/mol
- Monoisotopic mass
- 228.93746
Names & identifiers
- Preferred name
- 2-Bromo-4-nitrobenzaldehyde
- IUPAC
- 2-bromo-4-nitrobenzaldehyde
- English name
- 2-Bromo-4-nitrobenzaldehyde
- Molecular formula
- C7H4BrNO3
- Molecular weight
- 230.02
Names & synonyms
2-Bromo-4-nitrobenzaldehyde5274-71-5DTXSID70508023RefChem:257260DTXCID50458830899-199-22-BROMO-4-NITRO-BENZALDEHYDEMFCD08753661Benzaldehyde, 2-bromo-4-nitro-SCHEMBL6173137XKDLLBUNDADXAA-UHFFFAOYSA-NSTL386639
Show more names
ethyl 6-amino-4-(4-bromothiophen-2-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate
AKOS000295594CS-W003568SB37517AC-29416DA-05184DS-15205SY025068EN300-45535
Database identifiers
- CAS
5274-71-5- PubChem CID
- 12721027
- DTXSID
DTXSID70508023- EC Number
- 899-199-2
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 334.3 · 334.3±27.0 °C(Predicted)
- Density
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2913000090 · 2913000090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-4-nitrobenzaldehyde can be used as a pharmaceutical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific
Related reactions
5 records
Compound notes
Loading…