Allyl p-toluenesulphonate

HCID 78587
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Basic information

CAS
4873-09-0
Standard SMILES
C=CCOS(=O)(=O)c1ccc(C)cc1
InChIKey
ZSBJCQGJFPHZRC-UHFFFAOYSA-N
Molecular formula
C10H12O3S
Average molar mass
212.27 g/mol
Monoisotopic mass
212.05071524

Names & identifiers

Preferred name
Allyl p-toluenesulphonate
IUPAC
prop-2-enyl 4-methylbenzenesulfonate
English name
Allyl toluene-4-sulfonate
Molecular formula
C10H12O3S
Molecular weight
212.27

Names & synonyms

4873-09-0Allyl p-toluenesulphonateAllyl p-toluenesulfonate5XQB2N49MREINECS 225-480-0DTXSID40197600RefChem:554882DTXCID60120091225-480-0allyl 4-methylbenzenesulfonateALLYL TOLUENE-4-SULFONATEprop-2-enyl 4-methylbenzenesulfonate
Show more names
p-Toluenesulfonic acid allyl4-Mehtylbenzenesulfonic acid allylp-Toluenesulfonic acid allyl ester4-Mehtylbenzenesulfonic acid 2-propenyl
MFCD00093777prop-2-en-1-yl 4-methylbenzene-1-sulfonateallyl-p-toluene sulphonateallyl tosylateAllyltoluene-4-sulfonateallyl p-toluene sulfonateUNII-5XQB2N49MRallyl4-methylbenzenesulfonate

Database identifiers

CAS
4873-09-0
PubChem CID
78587
DTXSID
DTXSID40197600
UNII
5XQB2N49MR
EC Number
225-480-0
Nikkaji
J32.712C

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Boiling point
135 · 135-140 °C(Press: 0.5-1.0 Torr)
Density
1.18 g/mL · 1.180 g/mL at 20 °C (lit.)
refractive index
20 · n20/D 1.523
storage temp.
2 · 2-8°C
form
liquid
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Regulatory InformationChemical: Benzenesulfonic acid, 4-methyl-, 2-propenyl ester
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10-21
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Upstream & downstream products

Suppliers49 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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