CAS Number3173-56-6
Synonymsphenylmethyl isocyanate; EINECS 221-640-9; (Isocyanatomethyl)benzene; MFCD00009701; Isocyanatomethylbenzene; Isocyanatomethyl-benzene; Benzyl-isocyanate; Isocyanic Acid Benzyl Ester
Molecular FormulaC6H5CH2NCO
Molecular Weight133.15
Purity99%
Density1.0±0.1 g/cm3
Boiling Point101-104 °C/33 mmHg (lit.)
Appearanceliquid
EINECS221-640-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3173-56-6 |
| Catalog No. | 2A-9029519 |
| Chinese Name | 异氰酸苄酯 |
| Synonyms | phenylmethyl isocyanate; EINECS 221-640-9; (Isocyanatomethyl)benzene; MFCD00009701; Isocyanatomethylbenzene; Isocyanatomethyl-benzene; Benzyl-isocyanate; Isocyanic Acid Benzyl Ester |
| Molecular Formula | C6H5CH2NCO |
| Molecular Weight | 133.15 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 101-104 °C/33 mmHg (lit.) |
| Appearance | liquid |
| Storage Condition | Sealed in a cool, dry environment at 2-8 ºC |
| Packaging | II |
| EINECS | 221-640-9 |
| HTC | 29291090 |
| PubChem ID | 24853269 |
| MDL Number | MFCD00009701 |
| SMILES | O=C=NCc1ccccc1 |
| InChI | 1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChI Key | YDNLNVZZTACNJX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 636508 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/29519_1_3173_56_6.pdf |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3080 International Maritime Danger Regulations: 3080 International Air Transport Danger Regulations: 3080 14.2 United Nations shipping name European Land Transport Dangerous Regulations: ISOCYANATE, TOXIC, FLAMMABLE, N.O.S. (Benzyl isocyanate) IMDG Code: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S. (Benzyl isocyanate) International air transport hazard regulations: Isocyanates, toxic, flammable, n.o.s. (Benzyl isocyanate) 14.3 Transport hazard categories European land transport risk code: 6.1 (3) International sea transport risk code: 6.1 (3) International air transport risk code: 6.1 (3) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
| Related Products in Pharmaceutical Intermediates | ||
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| Diphenylmethyl isocyanate | 3066-44-2 | 2A-9029377 |
| [(1S,2S,6R)-5,6-diacetyloxy-1-hydroxy-2-(2-hydroxyethoxy)-1-cyclohex-3 -enyl]methyl benzoate | 10-05-9 | 2A-9029406 |
| (S)-(-)-1-(2-Naphthyl)ethylamine | 3082-62-0 | 2A-9029407 |
| 3-Acetylphenyl isothiocyanate | 3125-71-1 | 2A-9029459 |
| Octyl isocyanate | 3158-26-7 | 2A-9029498 |
| (S)-(+)-2-Methylpiperidine | 3197-42-0 | 2A-9029547 |
| Fluorescein 6-isothiocyanate | 3326-31-6 | 2A-9029676 |
| Fluorescein isothiocyanate isomer I | 3326-32-7 | 2A-9029677 |
| tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester | 3392-12-9 | 2A-9029751 |
| 2-Mesitylenesulfonyl chloride | 3453-83-6 | 2A-9029830 |
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