2-Chloro-5-nitro-benzenesulfonyl chloride

Modify Date: 2024-01-05 15:56:04

2-Chloro-5-nitro-benzenesulfonyl chloride Structure
2-Chloro-5-nitro-benzenesulfonyl chloride structure
Common Name 2-Chloro-5-nitro-benzenesulfonyl chloride
CAS Number 4533-95-3 Molecular Weight 256.06300
Density 1.708 g/cm3 Boiling Point 371.6ºC at 760 mmHg
Molecular Formula C6H3Cl2NO4S Melting Point 88-90ºC
MSDS N/A Flash Point 178.5ºC

 Names

Name 2-Chloro-5-nitrobenzenesulfonyl chloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.708 g/cm3
Boiling Point 371.6ºC at 760 mmHg
Melting Point 88-90ºC
Molecular Formula C6H3Cl2NO4S
Molecular Weight 256.06300
Flash Point 178.5ºC
Exact Mass 254.91600
PSA 88.34000
LogP 3.77970
Index of Refraction 1.599
Storage condition Hygroscopic, -20°C Freezer, Under Inert Atmosphere

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 2-chloro-5-nitrobenzenesulphonyl chloride
CAS-No.: 4533-95-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H314Causes severe skin burns and eye damage.
Precautionary statement(s)
P280Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34Causes burns.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S27Take off immediately all contaminated clothing.
S28After contact with skin, wash immediately with plenty of water.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C6H3Cl2NO4S
Molecular Weight: 256,06 g/mol
ComponentConcentration
2-chloro-5-nitrobenzenesulphonyl chloride
CAS-No.4533-95-3-
EC-No.224-873-4

Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Cough, Shortness of breath, Headache, Nausea, Vomiting
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. The
preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship
(QSAR) modeling.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
IngestionMay be harmful if swallowed. Causes burns.
SkinMay be harmful if absorbed through skin. Causes skin burns.
EyesCauses eye burns.
Signs and Symptoms of Exposure
Cough, Shortness of breath, Headache, Nausea, Vomiting
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 3261IMDG: 3261IATA: 3261
UN proper shipping name
ADR/RID: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (2-chloro-5-nitrobenzenesulphonyl chloride)
IMDG: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (2-chloro-5-nitrobenzenesulphonyl chloride)
IATA:Corrosive solid, acidic, organic, n.o.s. (2-chloro-5-nitrobenzenesulphonyl chloride)
Transport hazard class(es)
ADR/RID: 8IMDG: 8IATA: 8
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

 Safety Information

Hazard Codes C
RIDADR 3261.0
Hazard Class 8.0
HS Code 2904909090

 Synthetic Route

~54%

2-Chloro-5-nitro-benzenesulfonyl chloride Structure

2-Chloro-5-nitr...

CAS#:4533-95-3

Literature: AXIKIN PHARMACEUTICALS, INC.; LY, Tai, Wei; TRAN, Marie Chantal, Siu-ying; BAAUM, Erik, Dean Patent: WO2010/123956 A2, 2010 ; Location in patent: Page/Page column 106-107 ; WO 2010/123956 A2

~97%

2-Chloro-5-nitro-benzenesulfonyl chloride Structure

2-Chloro-5-nitr...

CAS#:4533-95-3

Literature: Fujita, Shinsaku Synthesis, 1982 , # 5 p. 423 - 424

~%

2-Chloro-5-nitro-benzenesulfonyl chloride Structure

2-Chloro-5-nitr...

CAS#:4533-95-3

Literature: Guidi, Antonio; Dimoulas, Tula; Giannotti, Danilo; Harmat, Nicholas Patent: US2008/275023 A1, 2008 ; Location in patent: Page/Page column 7 ; US 20080275023 A1

~79%

2-Chloro-5-nitro-benzenesulfonyl chloride Structure

2-Chloro-5-nitr...

CAS#:4533-95-3

Literature: Shaw, Antony N.; Tedesco, Rosanna; Bambal, Ramesh; Chai, Deping; Concha, Nestor O.; Darcy, Michael G.; Dhanak, Dashyant; Duffy, Kevin J.; Fitch, Duke M.; Gates, Adam; Johnston, Victor K.; Keenan, Richard M.; Lin-Goerke, Juili; Liu, Nannan; Sarisky, Robert T.; Wiggall, Kenneth J.; Zimmerman, Michael N. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 15 p. 4350 - 4353

~%

2-Chloro-5-nitro-benzenesulfonyl chloride Structure

2-Chloro-5-nitr...

CAS#:4533-95-3

Literature: ANADYS PHARMACEUTICALS, INC. Patent: WO2007/150001 A1, 2007 ; Location in patent: Page/Page column 54; 112 ;

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

1-chloro-2-chlorosulfonyl-4-nitrobenzene
EINECS 224-873-4
2-chloro-5-nitro benzene sulphonylchloride
5-nitro-2-chlorobenzenesulfonyl chloride
6-chloro-3-nitrobenzenesulphonyl chloride
Benzenesulfonyl chloride,2-chloro-5-nitro
2-Chloro-5-nitro-benzenesulfonyl chloride
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