CAS 24974-75-2 (2-nitrophenyl)methanesulfonyl Chloride (HCID 4305447)

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Basic information

CAS: 24974-75-2
Standard SMILES: O=[N+]([O-])c1ccccc1CS(=O)(=O)Cl
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
Molecular formula: C7H6ClNO4S
Average molar mass: 235.65 g/mol
Monoisotopic mass: 234.97060635

Names & identifiers

Preferred name: (2-nitrophenyl)methanesulfonyl Chloride
IUPAC: (2-nitrophenyl)methanesulfonyl chloride
English name: 2-Nitro-alpha-toluenesulfonyl chloride
Molecular formula: C7H6ClNO4S
Molecular weight: 235.64

Names & synonyms

(2-nitrophenyl)methanesulfonyl Chloride24974-75-2DTXSID20401757RefChem:206243DTXCID00352612625-482-52-Nitro-alpha-toluenesulfonyl chlorideMFCD000825262-NITRO-ALPHA-TOLUENESULFONYLCHLORIDEBenzenemethanesulfonyl chloride, 2-nitro-2-Nitro-|A-toluenesulfonyl chlorideSCHEMBL270126

Show more names

2-nitro-α-toluenesulfonyl chloride2-Nitro-α-toluenesulfonyl chloride2-Nitro-alpha-toluenesulfonyl chloride 98%2-Nitro-α-toluenesulfonyl chloride, CAS 24974-75-2

SCHEMBL314249022-nitro-a-toluenesulfonyl chlorideSTR047272-nitrophenylmethanesulfonyl chloride(2-nitrophenyl)methansulfonyl chlorideAKOS009157104AKOS0159135782-nitro-alpha-toluenesulphonyl chloride

Database identifiers

CAS: 24974-75-2
PubChem CID: 4305447
DTXSID: DTXSID20401757
EC Number: 625-482-5

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 305

Physicochemical properties

Melting point: 64 · 64-66 °C (lit.)
Boiling point: 367.5 · 367.5±25.0 °C(Predicted)
Density: 1.57 · 1.570±0.06 g/cm3(Predicted)
InChI: 1S/C7H6ClNO4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1CS(Cl)(=O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemistry & industry

Applications

Uses2-Nitro-α-toluenesulfonyl chloride is a sulfonyl halide. It is reported to participate in the preparation of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents.

General Description2-Nitro-α-toluenesulfonyl chloride is a sulfonyl halide. It is reported to participate in the preparation of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents.