Basic information
- CAS
3112-87-6- Standard SMILES
C=CCS(=O)(=O)c1ccc(C)cc1- InChIKey
QTTZZUJXQPUOTF-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- Sulfone, allyl p-tolyl
- IUPAC
- 1-methyl-4-prop-2-enylsulfonylbenzene
- English name
- (4-Methylphenyl)allyl sulfone
- Molecular formula
- C10H12O2S
- Molecular weight
- 196.27
Names & synonyms
Allyl p-tolyl sulfonep-Tolyl allyl sulfone3112-87-6Sulfone, allyl p-tolylBenzene, 1-methyl-4-(2-propenylsulfonyl)-AI3-07242NSC 65083BRN 1909845DTXSID501850584-06-00-02162 (Beilstein Handbook Reference)1-Methyl-4-(2-propen-1-ylsulfonyl)benzeneRefChem:889596
Show more names
p-Tolylallyl sulfoneAllyl(p-tolyl) sulfone4-(Allylsulfonyl)toluene4-Methylphenylallyl sulfone
DTXCID60107549Benzene, 1-methyl-4-(2-propenylsulfonyl)-(9CI)683-715-61-(allylsulfonyl)-4-methylbenzene1-methyl-4-prop-2-enylsulfonylbenzene1-methyl-4-(prop-2-ene-1-sulfonyl)benzene(4-Methylphenyl)allyl sulfoneW5CKZ4NJX3
Database identifiers
- CAS
3112-87-6- PubChem CID
- 96276
- DTXSID
DTXSID50185058- UNII
- W5CKZ4NJX3
- EC Number
- 683-715-6
- Nikkaji
- J49.541G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- FDA UNII
- 5 CKZ4NJX3 · W5CKZ4NJX3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers15 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
HaBo Hong Kong Co., Limited.+86-25-18512596065 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
江苏新素新材料有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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