Basic information
- Standard SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1- InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2O2S
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.93090573
Names & identifiers
- Preferred name
- 4-Chlorobenzenesulfonyl chloride
- IUPAC
- 4-chlorobenzenesulfonyl chloride
- English name
- 4-Chlorobenzenesulfonyl chloride
- Molecular formula
- C6H4Cl2O2S
- Molecular weight
- 211.07
Names & synonyms
4-Chlorobenzenesulfonyl chloride98-60-24-chlorobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-chloro-4-CHLOROPHENYLSULFONYL CHLORIDEHSDB 5318NSC 6956EINECS 202-685-3BRN 0511583UNII-H55O3362D6NSC-6956p-Chlorobenzenesulfochloride
Show more names
CHLOROBENZENESULFONYL CHLORIDE4-Chlorobenzene4-Chlorobenzenesulfop-Chlorbenzensulfochlorid4-Chlorophenylchloro sulfonep-Chlorobenzenesulfonylchlorip-chlorophenylsulfonylchloride4-chloro-benzenesulfonylchlorid
DTXSID4059174ZLYBFBAHAQEEQQ-UHFFFAOYSA-EC 202-685-34-CHLOROPHENYLSULFONYL CHLORIDE [HSDB]pChlorbenzensulfochloridRefChem:98547pChlorophenylsulfonyl chloride4chlorobenzenesulfonyl chloride
Database identifiers
- CAS
98-60-2- PubChem CID
- 7398
- DTXSID
DTXSID4059174- UNII
- H55O3362D6
- EC Number
- 202-685-3
- Nikkaji
- J16.838F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesCrystal structure
Color/FormPRISMS OR PLATES FROM ETHER
SolubilityVERY SOL IN ETHER & BENZENE
Boiling Point141 °C @ 15 MM HG
Melting Point55 °C
Vapor Pressure0.00117 [mmHg]
Physical DescriptionWhite solid; [CHEMINFO]
Other Experimental PropertiesDECOMP IN HOT WATER & HOT ALCOHOL
Physicochemical properties
- Melting point
- 50 · 50-52 °C (lit.)
- Boiling point
- 141 °C/15 · 141 °C/15 mmHg (lit.)
- Density
- 1.5075 · 1.5075 (estimate)
- Flash point
- 226 °F · 226 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Toluene
- form
- Liquid
- color
- Clear
- Water Solubility
- INSOLUBLE
- Sensitive
- Moisture Sensitive
- BRN
- 511583 · 511583
- InChI
- InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
- InChIKey
- ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(Cl)C=C1
- CAS DataBase Reference
- 98 · 98-60-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 55 O3362D6 · H55O3362D6
- NIST Chemistry Reference
- 4 · 4-Chlorobenzenesulfonyl chloride(98-60-2)
- EPA Substance Registry System
- 4 · Benzenesulfonyl chloride, 4-chloro- (98-60-2)
- 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 · 34-37
- Safety Statements
- 26 · 26-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 8925000 · DB8925000
- F
- 21 · 21
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049020 · 29049020
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Hazardous Substances Data
- 98 · 98-60-2(Hazardous Substances Data)
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 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)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11530
4-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Decomposes in water; A severe eye and moderate skin irritant based on animal studies; [CHEMINFO] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DB8925000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049020
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- 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)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazardous Substances Data
- 98-60-2(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 4-chloro-: ACTIVE
Applications
Uses4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
Related reactions
676 records
Linked notes
Loading…