Basic information
- CAS
56542-67-7- Standard SMILES
N#Cc1cccc(S(=O)(=O)Cl)c1- InChIKey
BHNRGBRMCNHNQD-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO2S
- Average molar mass
- 201.63 g/mol
- Monoisotopic mass
- 200.96512705
Names & identifiers
- Preferred name
- 3-Cyanobenzene-1-sulfonyl chloride
- IUPAC
- 3-cyanobenzenesulfonyl chloride
- English name
- 3-Cyanobenzene-1-sulfonyl chloride
- Molecular formula
- C7H4ClNO2S
- Molecular weight
- 201.63
Names & synonyms
3-cyanobenzene-1-sulfonyl chlorideRefChem:500634628-035-256542-67-73-Cyanobenzenesulfonyl chloride3-Cyanobenzene-1-sulfonylchlorideBenzenesulfonyl chloride, 3-cyano-MFCD002034803-cyano-benzenesulfonyl chloride3-cyanobenzenesulphonyl chlorideSCHEMBL658613-cyanobenzenesulfonylchloride
Show more names
AKOS BB-9463BUTTPARK 33\11-953-Cyanobenzene-1-3-Cyanobenzene-1-sul3-Cyanobenzenesulfonylchlorid3-(Chlorosulfonyl)benzonitrile3-cyanophenylsulfonyl chlorideM-Cyanobenzenesulfonyl chloride3-(Chlorosulphonyl)benzonitrile
3-cyanobenzene sulphonyl chloride3-cyano benzene sulfonyl chlorideDTXSID00384236BHNRGBRMCNHNQD-UHFFFAOYSA-N3-(chlorosulfonyl)benzenecarbonitrileSBB0549823-Cyanobenzenesulfonyl chloride, 97%AKOS001049426
Database identifiers
- CAS
56542-67-7- PubChem CID
- 2801360
- DTXSID
DTXSID00384236- EC Number
- 628-035-2
- Nikkaji
- J2.136.526B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 49 · 49-53 °C (lit.)
- Boiling point
- 148 °C · 148 °C
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Light yellow to Dark green
- Sensitive
- Moistute Sensitive
- BRN
- 2832925 · 2832925
- InChI
- 1S/C7H4ClNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H
- InChIKey
- BHNRGBRMCNHNQD-UHFFFAOYSA-N
- SMILES
- ClS(=O)(=O)c1cccc(c1)C#N
- CAS DataBase Reference
- 56542 · 56542-67-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317
- Precautionary statements
- 260 · P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34-43-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29269090 · 29269090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 BSkin · Skin Corr. 1BSkin Sens. 1
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (14.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29269090
- risk_code
- 34-43-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H317
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesA benzenesulfonamide derivative as potential kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
杭州东帆化学有限公司86-0571-85151182
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Related reactions
95 records
Compound notes
Loading…