3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE (CAS 2094-99-7) — formula C13H15NO, molecular weight 201.26; category organic chemicals.
| CAS Number | 2094-99-7 |
|---|---|
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.26 |
| LogP | 4.6 |
| Category | Organic Chemicals |
3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE is a carbon-based organic compound with CAS registry number 2094-99-7 and molecular formula C13H15NO (molecular weight 201.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2094-99-7
Its molecular formula C13H15NO comprises 13 C, 15 H, 1 N, 1 O atoms.
Also known as: 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE · 3-异丙基-二甲基苄基异氰酸酯TMI
Category: organic chemicals
The CAS registry number of 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE is 2094-99-7.
Molecular formula C13H15NO, molecular weight 201.26.
It is also registered under: 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE, 3-异丙基-二甲基苄基异氰酸酯TMI.
Category: Organic Chemicals.
Independent reference data for 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE (CAS 2094-99-7), compiled from public chemistry databases.
| CAS 号 | 2094-99-7 |
|---|---|
| PubChem CID | 604152 |
| 分子式 | C13H15NO |
| IUPAC 名称 | 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene |
| UNII（FDA） | RY29G3V80M |
| Molecular Weight | 201.26 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.115364102 |
| Monoisotopic Mass | 201.115364102 |
| Topological Polar Surface Area | 29.4 |
| Heavy Atom Count | 15 |
2094-99-7; 3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate; 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene; Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-; RY29G3V80M; Isocyanic acid meta-isopropenyl-alpha,alpha-dimethylbenzyl ester; RefChem:94486; 3-TMI; 402-440-2; 3-Isopropenylcumyl Isocyanate; 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene; 1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene; 3-isopropenyl-alpha,alpha-dimethylbenzylisocyanate; m-TMI; MFCD00080490; DTXSID9044871
| 已通报的危害声明 | H314, H317, H330, H334, H373, H400, H410, H318 (73.1%) |
|---|
3-异丙基-二甲基苄基异氰酸酯TMI · CAS 2094-99-7 · C13H15NO. UNII RY29G3V80M.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-异丙基-二甲基苄基异氰酸酯TMI