Acetic acid, 2-bromo-, 4-nitrophenyl ester
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Basic information
- CAS
19199-82-7- Standard SMILES
O=C(CBr)Oc1ccc([N+](=O)[O-])cc1- InChIKey
HVNXGOPARVAZNX-UHFFFAOYSA-N- Molecular formula
- C8H6BrNO4
- Average molar mass
- 260.04 g/mol
- Monoisotopic mass
- 258.94802
Overview
structure given in first source
Names & identifiers
- Preferred name
- Acetic acid, 2-bromo-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 2-bromoacetate
- English name
- 4-NITROPHENYL BROMOACETATE
- Molecular formula
- C8H6BrNO4
- Molecular weight
- 260.04
Names & synonyms
4-Nitrophenyl bromoacetate19199-82-7p-Nitrophenyl bromoacetate1WE7149NTCNSC-341921DTXSID10172747ACETIC ACID, 2-BROMO-, 4-NITROPHENYL ESTERRefChem:100098DTXCID7095238691-772-3919-989-34-NITROPHENYL 2-BROMOACETATE
Show more names
4-Nitrophenyl bromoacetate,98%4-NITROPHENYL BROMOACETATE 98%
(4-nitrophenyl) 2-bromoacetateMFCD00051840Bromoacetic acid p-nitrophenyl ester4-NITROPHENYLBROMACETATnitrophenylbromoacetateNSC 341921p-nitrophenylbro-moacetatep-Nitrophenylbromoacetic acid
Database identifiers
- CAS
19199-82-7- PubChem CID
- 100667
- DTXSID
DTXSID10172747- UNII
- 1WE7149NTC
- EC Number
- 691-772-3、919-989-3
- Nikkaji
- J512.273B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 83 · 83-85 °C
- Density
- 1.9146 · 1.9146 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 0 · 0-6°C
- Water Solubility
- Hydrolyzes in water.
- Sensitive
- Moisture Sensitive
- BRN
- 2529186 · 2529186
- CAS DataBase Reference
- 19199 · 19199-82-7
- FDA UNII
- 1 WE7149NTC · 1WE7149NTC
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Nitrophenyl bromoacetate is used as a haloacetamide
Related reactions
1 records
Compound notes
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