Acetic acid, iodo-, 4-nitrophenyl ester
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Basic information
- CAS
31252-85-4- Standard SMILES
O=C(CI)Oc1ccc([N+](=O)[O-])cc1- InChIKey
GERXSZLDSOPHJV-UHFFFAOYSA-N- Molecular formula
- C8H6INO4
- Average molar mass
- 307.043 g/mol
- Monoisotopic mass
- 306.93415567
Names & identifiers
- Preferred name
- Acetic acid, iodo-, 4-nitrophenyl ester
- IUPAC
- 4-Nitrophenyl iodoacetate
- English name
- 4-Nitrophenyl iodoacetate
- Molecular formula
- C8H6INO4
- Molecular weight
- 307.04
Names & synonyms
LABOTEST-BB LT00847434P-NITROPHENYL IODOACETATE4-Nitrophenyl iodoacetate4-Nitrophenyl 2-iodoacetate4-NITROPHENYL IODOACETATE 99%iodo-aceticaci4-nitrophenylesterIodoacetic acid 4-nitrophenyl esterIodo-acetic Acid p-Nitrophenyl EsterAcetic acid, 2-iodo-, 4-nitrophenyl ester
Database identifiers
- CAS
31252-85-4- PubChem CID
- 160197
- DTXSID
DTXSID8067604- ChEMBL
CHEMBL3272660- EC Number
- 250-536-6
- Nikkaji
- J267.261H
Properties
Physicochemical properties
- Melting point
- 79 · 79-82 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Dichloromethane, Ether, Ethyl Acetate, Methanol
- form
- Solid
- color
- Greenish-Brown
- BRN
- 1970746 · 1970746
- InChI
- 1S/C8H6INO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
- InChIKey
- GERXSZLDSOPHJV-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(OC(=O)CI)cc1
- EPA Substance Registry System
- 4 · Acetic acid, iodo-, 4-nitrophenyl ester (31252-85-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 6.1(a)
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA sulfhydryl reactive compound.
Suppliers
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Related reactions
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Compound notes
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