Basic information
- CAS
93-11-8- Standard SMILES
O=S(=O)(Cl)c1ccc2ccccc2c1- InChIKey
OPECTNGATDYLSS-UHFFFAOYSA-N- Molecular formula
- C10H7ClO2S
- Average molar mass
- 226.68 g/mol
- Monoisotopic mass
- 225.98552814
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonyl chloride
- IUPAC
- naphthalene-2-sulfonyl chloride
- English name
- 2-Naphthalenesulfonyl chloride
- Molecular formula
- C10H7ClO2S
- Molecular weight
- 226.68
Names & synonyms
Show more names
Database identifiers
- CAS
93-11-8- PubChem CID
- 7125
- DTXSID
DTXSID5059080- UNII
- W3N8WRJ279
- EC Number
- 202-219-9
- Nikkaji
- J94.937J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 74 · 74-76 °C (lit.)
- Boiling point
- 147.7 °C/0.6 · 147.7 °C/0.6 mmHg (lit.)
- Density
- 1.3661 · 1.3661 (estimate)
- vapor pressure
- 0.004 Pa · 0.004Pa at 25℃
- Flash point
- 200 · 200-202°C/13mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- Powder
- color
- Light yellow to beige
- Water Solubility
- insoluble
- Sensitive
- Moisture Sensitive
- BRN
- 641898 · 641898
- InChI
- 1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChIKey
- OPECTNGATDYLSS-UHFFFAOYSA-N
- SMILES
- ClS(=O)(=O)c1ccc2ccccc2c1
- LogP
- 2.2 at · 2.2 at 25℃
- CAS DataBase Reference
- 93 · 93-11-8(CAS DataBase Reference)
- FDA UNII
- 3 N8WRJ279 · W3N8WRJ279
- NIST Chemistry Reference
- 2 · 2-Naphthalenesulfonyl chloride(93-11-8)
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonyl chloride (93-11-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-27
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 21 · 21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049020 · 29049020
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (80.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 20-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20866
2-Naphthalenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049020
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H290-H314
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P234-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2-Naphthalenesulfonyl chloride was employed as capping reagent for primary amine to convert histamine to a selective histamine H3-receptor antagonist. It was used for pre-column derivatization during the high-performance liquid chromatographic assay of neomycin sulfate.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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