CAS Number76469-88-0
SynonymsMethyl |A-Cyano-p-toluate; Methyl 4-(Cyanomethyl) Benzoate; Methyl 4-(cyanomethyl)benzoate; MFCD00060695; Benzoic acid, 4-(cyanomethyl)-, methyl ester; 4-(CYANOMETHYL)BENZOATE
Molecular FormulaCH3OOCC6H4CH2CN
Molecular Weight175.18
Purity96%
Density1.1±0.1 g/cm3
Boiling Point110 °C/0.2 mmHg (lit.)
Melting Point55-58 °C (lit.)
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 76469-88-0 |
| Catalog No. | 2A-9047997 |
| Chinese Name | 对氰甲基苯甲酸甲酯 |
| Synonyms | Methyl |A-Cyano-p-toluate; Methyl 4-(Cyanomethyl) Benzoate; Methyl 4-(cyanomethyl)benzoate; MFCD00060695; Benzoic acid, 4-(cyanomethyl)-, methyl ester; 4-(CYANOMETHYL)BENZOATE |
| Molecular Formula | CH3OOCC6H4CH2CN |
| Molecular Weight | 175.18 |
| Purity | 96 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 110 °C/0.2 mmHg (lit.) |
| Melting Point | 55-58 °C (lit.) |
| Storage Condition | room temperature |
| PubChem ID | 24884115 |
| MDL Number | MFCD00060695 |
| SMILES | COC(=O)c1ccc(CC#N)cc1 |
| InChI | 1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3 |
| InChI Key | XRZGMNGGCZTNGE-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/47997_1_76469_88_0.pdf |
| Transport Info | Product name: Purity: 96.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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