Basic information
- CAS
80-44-4- Standard SMILES
CCCCOS(=O)(=O)c1ccccc1- InChIKey
NIKBCKTWWPVAIC-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Names & identifiers
- Preferred name
- Butyl benzenesulfonate
- IUPAC
- butyl benzenesulfonate
- English name
- Butyl Benzenesulfonate
- Molecular formula
- C10H14O3S
- Molecular weight
- 214.28
Names & synonyms
BUTYL BENZENESULFONATE80-44-4Benzenesulfonic acid, n-butyl esterBenzenesulfonic acid, butyl esterNSC-3215Y9VFZ9PM33DTXSID1075357RefChem:1080378DTXCID2048165Benzenesulfonic acid n-butyl esterBenzenesulfonic Acid Butyl EsterMFCD00025036
Show more names
N-BUTYL BENZENESULFONATEButyl Benzenesulfonate >BENZENESULPHONICACIDN-BUTYLESTERBENZENESULFONIC ACID N-BUTYL ESTER 98+%
butoxysulfonylbenzeneButylBenzenesulfonateNSC3215LS-13821SY053759CCRIS 9153NSC 3215butyl benzene sulfonate
Database identifiers
- CAS
80-44-4- PubChem CID
- 6642
- DTXSID
DTXSID1075357- UNII
- Y9VFZ9PM33
- Nikkaji
- J150.340E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 153 °C · 153 °C / 7mmHg
- Density
- 1.15 · 1.15
- refractive index
- 1.498 · 1.4980-1.5020
- storage temp.
- Room Temperature
- solubility
- Chloroform, Methanol
- form
- Oil
- color
- Clear Colourless
- CAS DataBase Reference
- 80 · 80-44-4
- FDA UNII
- 9 VFZ9PM33 · Y9VFZ9PM33
- EPA Substance Registry System
- Butyl benzenesulfonate (80-44-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904.10.3700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesButyl Benzenesulfonate is an aryl-sulfonic acid ester found in drug substances. Butyl Benzenesulfonate is also used as a plasticizer in concrete preparation.
Suppliers59 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
河北明吉化工科技有限公司13731109507 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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