4-Amino-6-(trifluoromethyl)benzene-1,3-dicarbonitrile
- CAS
- 888072-96-6
- Formula
- C9H4F3N3
- MW
- 211.14 g/mol
ZX-045081
Nitriles & Cyanides
Boc-ON
Available on request
Order Boc-ON (CAS 58632-95-4) online at Zemixal. Lab and bulk packs, batch COA, fast global delivery. Catalogue no. ZX-045078.
CAS number58632-95-4
FormulaC13H14N2O3
Molar mass246.26 g/mol
HS code2933
InChIKeyQQWYQAQQADNEIC-RVDMUPIBSA-N
IUPAC nametert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate
About Boc-ON
Zemixal supplies Boc-ON within its pharma Intermediates & Building Blocks portfolio. Key data: CAS 58632-95-4, formula C13H14N2O3 and molar mass 246.26 g/mol.
Common uses in the lab and plant
- Organic synthesis
- API synthesis
Storage and safety notes
Hazard communication follows GHS (Danger: H301, H302, H312 and H315). Our SDS lists exposure controls and first-aid measures.
Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. Each lot travels with a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Boc-ON |
|---|---|
| Catalogue number | ZX-045078 |
| CAS number | 58632-95-4 |
| IUPAC name | tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate |
| Molecular formula | C13H14N2O3 |
| Molar mass | 246.26 g/mol |
| Exact mass | 246.1004 |
| XLogP3 | 3.3 |
| H-bond donors / acceptors | 0 / 5 |
| Topological polar surface area | 71.7 Ų |
| HS code | 2933 |
| InChIKey | QQWYQAQQADNEIC-RVDMUPIBSA-N |
| SMILES | CC(C)(C)OC(=O)O/N=C(\C#N)/C1=CC=CC=C1 |
| PubChem CID | 5365066 |
| Synonyms | Benzeneacetonitrile, alpha-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-, 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile, tert-Butyl alpha-cyanobenzylaminyl carbonate, Benzeneacetonitrile, alpha-((((1,1-dimethylethoxy)carbonyl)oxy)imino)-, Carbonic acid, (cyanophenylmethylene)azanyl 1,1-dimethylethyl ester, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide, 2-(Boc-oxyimino)-2-phenylacetonitrile, 2-(tert-butoxycarbonyloxyimino)phenylacetonitrile, Benzeneacetonitrile, .alpha.-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-, tert-butyl [cyano(phenyl)methylidene]amino carbonate, tert-butyl-[cyano(phenyl)methylidene]amino carbonate |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Danger
- H301Toxic if swallowed
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P316, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 1 g | Quoted on request | |
| 5 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Boc-ON
Which CAS number identifies Boc-ON?
Boc-ON is registered under CAS 58632-95-4. You may also see it listed as Benzeneacetonitrile, alpha-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-, 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile, tert-Butyl alpha-cyanobenzylaminyl carbonate. Our catalogue number for this item is ZX-045078.
What are the formula and molar mass of Boc-ON?
For Boc-ON, its formula is C13H14N2O3 and its molar mass is 246.26 g/mol. The systematic (IUPAC) name is tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate. InChIKey QQWYQAQQADNEIC-RVDMUPIBSA-N lets you match it in any structure database.
What grade and pack sizes are available for Boc-ON?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Boc-ON?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Boc-ON to my country?
Yes. Because Boc-ON is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
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