BOC-ON, 99%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10550014	Thermo Scientific Acros 185890050	5 g	Glass bottle
10591821	Thermo Scientific Acros 185890250	25 g	Glass bottle
10594644	Thermo Scientific Acros 185891000	100 g	Glass bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 58632-95-4
• Molecular Weight (g/mol): 246.27
• InChI Key: QQWYQAQQADNEIC-PTNGSMBKSA-N
• PubChem CID: 5868400
• SMILES: CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1

• Molecular Formula: C₁₃H₁₄N₂O₃
• MDL Number: MFCD00001863
• Synonym: 2-tert-butoxycarbonyloxyimino-2-phenylacetonitrile, 2-boc-oxyimino-2-phenylacetonitrile, boc-on, ccris 2601, tert-butyl alpha-cyanobenzylaminyl carbonate, 2-tert-butoxycarbonyloximino-2-phenylacetonitrile, carbonic acid, cyanophenylmethylene azanyl 1,1-dimethylethyl ester, n-tert-butoxycarbonyl oxy benzimidoyl cyanide, benzeneacetonitrile, alpha-1,1-dimethylethoxy carbonyl oxy imino
• IUPAC Name: tert-butyl [(E)-[cyano(phenyl)methylidene]amino] carbonate

Specifications

• CAS: 58632-95-4
• Color: White to Beige
• Infrared Spectrum: Authentic
• Molecular Formula: C₁₃H₁₄N₂O₃
• MDL Number: MFCD00001863
• Merck Index: 15, 1323
• Solubility Information: Solubility in water: insoluble. Other solubilities: soluble in ethyl acetate,ether,benzene,dioxane,,chloroform,acetone,methanol,isopropanol and,tert-butanol,insoluble in petroleum ether
• SMILES: CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1
• Molecular Weight (g/mol): 246.27
• Formula Weight: 246.27
• Physical Form: Fine Crystalline Powder

• Melting Point: 86°C to 89°C
• Flash Point: >100°C
• Assay Percent Range: 99%
• Linear Formula: (CH₃)₃COCO₂N=C(C₆H₅)CN
• Fieser: 06,91; 10,61
• Synonym: 2-tert-butoxycarbonyloxyimino-2-phenylacetonitrile, 2-boc-oxyimino-2-phenylacetonitrile, boc-on, ccris 2601, tert-butyl alpha-cyanobenzylaminyl carbonate, 2-tert-butoxycarbonyloximino-2-phenylacetonitrile, carbonic acid, cyanophenylmethylene azanyl 1,1-dimethylethyl ester, n-tert-butoxycarbonyl oxy benzimidoyl cyanide, benzeneacetonitrile, alpha-1,1-dimethylethoxy carbonyl oxy imino
• InChI Key: QQWYQAQQADNEIC-PTNGSMBKSA-N
• IUPAC Name: tert-butyl [(E)-[cyano(phenyl)methylidene]amino] carbonate
• PubChem CID: 5868400
• Percent Purity: 99%
• Chemical Name or Material: BOC-ON, 99%

Safety and Handling

GHS H Statement
Harmful in contact with skin.
Causes skin irritation.
Harmful if swallowed.
Causes serious eye irritation.
Harmful if inhaled.
May cause respiratory irritation.

GHS P Statement
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Continue rinsing.
IF ON SKIN: Wash with plenty of soap and water.
Avoid breathing dust/fume/gas/mist/vapo

GHS Signal Word: Warning

missing translation for 'einecsNumber' : 261-370-9

missing translation for 'tsca' : TSCA

Product Identifier

• BOC-ON

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H312-Harmful in contact with skin.
• H332-Harmful if inhaled.
• H302-Harmful if swallowed.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only