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Name	3-Nitrobenzenesulfonyl chloride	EINECS	204-476-2
CAS No.	121-51-7	Density	1.606 g/cm³
PSA	88.34000	LogP	3.12630
Solubility	decomposes in water	Melting Point	61-62 °C(lit.)
Formula	C₆H₄ClNO₄S	Boiling Point	341 °C at 760 mmHg
Molecular Weight	221.621	Flash Point	160 °C
Transport Information	UN 3261 8/PG 2	Appearance	light beige to yellow crystalline powder
Safety	26-36/37/39-45-8	Risk Codes	34-29-14
Molecular Structure		Hazard Symbols	C
Synonyms	Benzenesulfonylchloride, m-nitro- (6CI,7CI,8CI);3-(Chlorosulfonyl)nitrobenzene;3-Nitrobenzene-1-sulfonyl chloride;	Article Data	47

3-Nitrobenzenesulfonyl chloride Synthetic route

: 127-68-4
sodium 3-nitrobenzenesulfonate

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With trichlorophosphate In sulfolane; acetonitrile at 68 - 72℃; for 0.666667h;	95%
With trichlorophosphate; N,N-dimethyl acetamide In sulfolane; acetonitrile at 68 - 72℃; for 0.25h;	95%
With N,N-dimethyl-formamide; trichlorophosphate In acetonitrile at 72 - 75℃; for 2h;	92.6%

: 99-09-2
3-nitro-aniline

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
Stage #1: 3-nitro-aniline With hydrogenchloride; acetic acid Stage #2: With sodium nitrite In water at -10 - -5℃; for 0.75h; Stage #3: With hydrogenchloride; sulfur dioxide; acetic acid; copper(l) chloride In water at 10℃; for 0.5h;	86%
Stage #1: 3-nitro-aniline With hydrogenchloride In water at 30 - 50℃; for 1h; Sandmeyer reaction; Stage #2: With sodium nitrite In water at -5 - 0℃; for 0.916667h; Sandmeyer reaction; Stage #3: With thionyl chloride; water; copper(l) chloride at -5 - 0℃; for 2.83333h; Sandmeyer reaction;	79.8%

: 98-95-3
nitrobenzene

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid In chloroform at 0 - 20℃;	82.23%
With chlorosulfonic acid at 40 - 140℃; for 40.5h;	56%
With chlorosulfonic acid at 110 - 130℃;	9%

: 586-36-7
3-nitrophenyldiazonium tetrafluoroborate

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With thionyl chloride; tris(bipyridine)ruthenium(II) dichloride hexahydrate In water; acetonitrile at 20℃; for 20h; Sealed tube; Irradiation;	64%

: 121-52-8
3-nitrophenylsulfonamide

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid at 60℃; und schliesslich auf 180grad;

: 2028-76-4
3-nitrophenyldiazonium chloride

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With sulfur dioxide; copper(l) chloride

: 98-07-7
Benzotrichlorid

: 127-68-4
sodium 3-nitrobenzenesulfonate

: 121-51-7
3-nitrobenzenesulphonyl chloride

: 98-09-9
benzenesulfonyl chloride

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With sulfuric acid; nitric acid

: 98-47-5
3-Nitrobenzenesulfonic acid

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride

: 349-78-0
3-nitrobenzene-1-sulfonyl fluoride

: 121-51-7
3-nitrobenzenesulphonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid at 25℃; Rate constant; E(activ.), var. temperatures;

3-Nitrobenzenesulfonyl chloride Chemical Properties

Molecule structure of 3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7):

IUPAC Name: 3-Nitrobenzenesulfonyl chloride
Molecular Weight: 221.61826 g/mol
Molecular Formula: C₆H₄ClNO₄S
Density: 1.606 g/cm³
Melting Point: 61-62 °C(lit.)
Boiling Point: 341 °C at 760 mmHg
Flash Point: 160 °C
Index of Refraction: 1.588
Molar Refractivity: 46.43 cm³
Molar Volume: 137.9 cm³
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 56.15 kJ/mol
Vapour Pressure: 0.000164 mmHg at 25 °C
Water Solubility: decomposes
Sensitive: moisture sensitive
XLogP3: 1.3
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 220.954956
MonoIsotopic Mass: 220.954956
Topological Polar Surface Area: 77.3
Heavy Atom Count: 13
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)[N+](=O)[O-]
InChI: InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKey: MWWNNNAOGWPTQY-UHFFFAOYSA-N
EINECS: 204-476-2
Product Categories: Intermediates of Dyes and Pigments;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds

3-Nitrobenzenesulfonyl chloride Uses

3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is used as intermediate of dye and pharmaceutical.

3-Nitrobenzenesulfonyl chloride Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34-29-14
R34:Causes burns.
R29:Contact with water liberates toxic gas.
R14 :Reacts violently with water.
Safety Statements: 26-36/37/39-45-8
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S8:Keep container dry.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 21
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II

3-Nitrobenzenesulfonyl chloride Specification

3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is also named as 3-Nitrophenylsulfonyl chloride ; NSC 9806 ; m-Nitrobenzenesulfonyl chloride ; m-Nitrophenylsulfonyl chloride ; 3-Nitrobenzenesulphonyl chloride ; Benzenesulfonyl chloride, 3-nitro- ; Benzenesulfonyl chloride, m-nitro- (8CI) . 3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is light beige to yellow crystalline powder. It is soluble in hot alcohol, insoluble in water.

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