Basic information
- CAS
3686-66-6- Standard SMILES
O=C([O-])c1ccc(Cl)cc1.[Na+]- InChIKey
GHMWZRWCBLXYBX-UHFFFAOYSA-M- Molecular formula
- C7H4ClNaO2
- Average molar mass
- 178.55 g/mol
- Monoisotopic mass
- 177.97975133
Names & identifiers
- Preferred name
- Sodium p-chlorobenzoate
- IUPAC
- sodium 4-chlorobenzoate
- English name
- Sodium p-chlorobenzoate
- Molecular formula
- C7H4ClNaO2
- Molecular weight
- 178.55
Names & synonyms
Sodium 4-chlorobenzoateSodium p-chlorobenzoate3686-66-6MicrobinMicrobinep-Chlorobenzoic acid sodium saltBENZOIC ACID, p-CHLORO-, SODIUM SALTUNII-WLB6A4A792WLB6A4A7924-Chlorobenzoic acid sodium saltBenzoic acid, 4-chloro-, sodium salt (1:1)DTXSID70190346
Show more names
Sodium 4-ChlrobenzoateSodium 4-chlorobenzoate 98%p-chloro-benzoicacisodiumsaltp-chlorobenzoicacidsodiumsaltBenzoic acid,4-chloro-, sodium salt (1:1)
SODIUM P-CHLOROBENZOATE [WHO-DD]RefChem:184043DTXCID80112837609-302-2sodium;4-chlorobenzoateMFCD00016523CHEMBL1762652Benzoic acid, 4-chloro-, sodium salt
Database identifiers
- CAS
3686-66-6- PubChem CID
- 23691027
- DTXSID
DTXSID70190346- ChEMBL
CHEMBL1762652- UNII
- WLB6A4A792
- EC Number
- 609-302-2
- Nikkaji
- J26.891G
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- form
- powder
- color
- white
- InChI
- InChI=1S/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
- InChIKey
- GHMWZRWCBLXYBX-UHFFFAOYSA-M
- SMILES
- C1(C=CC(Cl)=CC=1)C([O-])=O.[Na+]
- FDA UNII
- 6 A4A792 · WLB6A4A792
- EPA Substance Registry System
- 4 · Benzoic acid, 4-chloro-, sodium salt (1:1) (3686-66-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- TSCA
- TSCA listed
- HS Code
- 2916310090 · 2916310090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Sodium 4-chlorobenzoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
- hs_code
- 2916310090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-chloro-, sodium salt (1:1): ACTIVE
Applications
UsesSodium 4-Chlrobenzoate is used in preparation method of antiviral active bagasse xylan cinnamate/m-chlorobenzoate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
Related reactions
1 records
Compound notes
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