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Basic information
- CAS
17691-19-9- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1Cl.[Na+]- InChIKey
POUGKTDTYSAMAT-UHFFFAOYSA-M- Molecular formula
- C6H3ClNNaO5S
- Average molar mass
- 259.6 g/mol
- Monoisotopic mass
- 258.9318153
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
- IUPAC
- sodium 4-chloro-3-nitrobenzenesulfonate
- English name
- 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt
- Molecular formula
- C6H3ClNNaO5S
- Molecular weight
- 259.6
Names & synonyms
17691-19-94-Chloro-3-nitrobenzenesulfonic acid, sodium saltBenzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)Sodium 4-chloro-3-nitrobenzenesulphonateBenzenesulfonic acid, 4-chloro-3-nitro-, sodium saltEINECS 241-680-0RefChem:564594241-680-0sodium 4-chloro-3-nitrobenzenesulfonateSodium 3-nitro-4-chlorobenzenesulfonate4-Chloro-3-nitrobenzenesulfonic acid sodium saltsodium;4-chloro-3-nitrobenzenesulfonate
Show more names
4-chloro-3-nitrobenzenesulfonateSodium 4-chloro-3-nitrobenzenesulfonate.SODIUM 4-CHLORO-3-NITROBENZENE-1-SULFONATESodium 1-chloro-2-nitrobenzene-4-sulfonate4-Chloro-3-nitrobenzenesulfonic acid sodiuM4-CHLORO-3-NITROBENZENESULFONIC ACID NA SALTSODIUM-3-NITRO-4-CHLORO-BENZENE SULFONIC ACID4-chloro-3-nitro-benzenesulfonicacisodiumsalt
MFCD00007496SCHEMBL176738SODIUM 4-CHLORO-3-NITROBENZENE-1-SULPHONATE4ZNE7E5C39DTXSID5066245SBB060842AKOS002376253sodium 4-chloro-3-nitrobenzensulfonate
Properties
Computed structural propertiesFilling in
- 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
- Boiling point
- 595.75 ℃[at · 595.75℃[at 101 325 Pa]
- Density
- 1.747 · 1.747[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 1000 g/L · 1000g/L at 25℃
- LogP
- -2.49 · -2.49
- CAS DataBase Reference
- 17691 · 17691-19-9(CAS DataBase Reference)
- FDA UNII
- 4 ZNE7E5C39 · 4ZNE7E5C39
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (17691-19-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationStatus: Cease Manufacture Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21815
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationStatus: Cease Manufacture Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21815
Safety data
- wgk
- 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1): INACTIVE
Upstream & downstream products
Downstream products
Suppliers24 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
雷丁试剂
Related reactions
4 records
Compound notes
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