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Basic information
- CAS
4025-77-8- Standard SMILES
O=C(Cl)CS(=O)(=O)Cl- InChIKey
MCFSNYMQISXQTF-UHFFFAOYSA-N- Molecular formula
- C2H2Cl2O3S
- Average molar mass
- 177.01 g/mol
- Monoisotopic mass
- 175.9101705
Names & identifiers
- Preferred name
- (Chlorosulphonyl)acetyl chloride
- IUPAC
- 2-chlorosulfonylacetyl chloride
- English name
- CHLOROSULFONYLACETYL CHLORIDE
- Molecular formula
- C2H2Cl2O3S
- Molecular weight
- 177.01
Names & synonyms
Chlorosulfonylacetyl chloride4025-77-8Acetyl chloride, (chlorosulfonyl)-2-(chlorosulfonyl)acetyl chloride(Chlorosulphonyl)acetyl chlorideEINECS 223-693-3Acetyl chloride, 2-(chlorosulfonyl)-DTXSID6063270RefChem:406021DTXCID3039743Acetyl chloride, (chlorosulfonyl)Acetyl chloride, 2(chlorosulfonyl)
Show more names
SKL591(chlorosulfonyl)-acetylchloridChlorosulfonylacetyl chloride,98%(Chlorosulfonyl)acetic acid chloride
223-693-32-chlorosulfonylacetyl chlorideChlorosulfonylacetylchloride(chlorosulfonyl)acetyl chlorideC2H2Cl2O3SSCHEMBL135774Chlorosulfonylacetyl chloride, 95%MFCD00007457
Database identifiers
- CAS
4025-77-8- PubChem CID
- 77642
- DTXSID
DTXSID6063270- EC Number
- 223-693-3
- Nikkaji
- J217.837K
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
Physical DescriptionPale yellow liquid; [Acros Organics MSDS]
Physicochemical properties
- Boiling point
- 71 · 71-72 °C/1 mmHg (lit.)
- Density
- 1.669 g/mL · 1.669 g/mL at 25 °C (lit.)
- vapor pressure
- 0.06 mmHg · 0.06 mmHg ( 20 °C)
- refractive index
- 20 · n20/D 1.493(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- water-free area
- form
- Powder, Crystals and/or Chunks
- color
- Off-white to brown
- CAS DataBase Reference
- 4025 · 4025-77-8
- EPA Substance Registry System
- Acetyl chloride, (chlorosulfonyl)- (4025-77-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, 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
Hazards SummaryReacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Safety data
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetyl chloride, 2-(chlorosulfonyl)-: ACTIVE
Applications
UsesChlorosulfonylacetyl chloride has been used in:preparation of novel tricyclic benzothiazolo [2,3-c] thiadiazine antagonists of the platelet ADP receptorN-terminal derivatization of peptides in rapid determination of peptide or protein sequences by matrix-assisted laser desorption ionization mass spectrometry
Upstream & downstream products
Downstream products
Suppliers21 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
7 records
Compound notes
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