Basic information
- CAS
946-30-5- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+]- InChIKey
OUERFXCJVYJQJO-UHFFFAOYSA-M- Molecular formula
- C6H3ClNNaO5S
- Average molar mass
- 259.6 g/mol
- Monoisotopic mass
- 258.9318153
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
- IUPAC
- sodium 2-chloro-5-nitrobenzenesulfonate
- English name
- Sodium 2-chloro-5-nitrobenzenesulfonate
- Molecular formula
- C6H3ClNNaO5S
- Molecular weight
- 259.6
Names & synonyms
Sodium 2-chloro-5-nitrobenzenesulphonateBenzenesulfonic acid, 2-chloro-5-nitro-, sodium salt2-Chloro-5-nitrobenzenesulfonic acid, sodium saltEINECS 213-418-5AI3-50027DTXSID4061339Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)RefChem:564193DTXCID9048934213-418-5946-30-5sodium 2-chloro-5-nitrobenzenesulfonate
Show more names
SodiuM 6-Chloro-3-nitrobenzNatrium-2-chlor-5-nitrobenzolsulfonat2-CHLOR-5-NITROSULFOBENZENE SODIUM SALTSodium 6-Chloro-3-nitrobenzenesulfonateSodium 1-Chloro-4-nitrobenzene-2-sulfonate2-chloro-5-nitro-benzenesulfonicacisodiumsalt2-CHLORO-5-NITROBENZENESULFONIC ACID SODIUM SALTBenzenesulfonicacid,2-chloro-5-nitro-,sodiumsalt
2-Chloro-5-nitrobenzene Sodium Sulphonatesodium;2-chloro-5-nitrobenzenesulfonatesodium 2-chloro-5-nitrobenzene-1-sulfonate7XZ7SMC9AJSCHEMBL2483870SCHEMBL29396358SBB055153AKOS002347521
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Light Brown
- CAS DataBase Reference
- 946 · 946-30-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (946-30-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2921420090 · 2921420090
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 2 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt
Hazard Classes and CategoriesEye Irrit. 2 (95.1%)
Regulatory information
Regulatory InformationChemical: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt
Safety data
- tsca
- TSCA listed
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1): ACTIVE
Applications
Uses2-Chloro-5-nitrobenzene Sodium Sulphonate (cas# 946-30-5) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
22 records
Compound notes
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