CAS Number2131-61-5
Synonyms4-nitro-phenyl isothiocyanate; 1-Isothiocyanato-4-nitrobenzene; EINECS 218-359-9; p-Nitrophenyl isothiocyanate; MFCD00007307; 4-Nitrophenyl isothiocyanate; Isothiocyanic Acid 4-Nitrophenyl Ester; para-nitrophenylisothiocyanate; N-p-nitrophenyl isothiocyanate; 4-nitrobenzenisothiocyanate; Benzene,1-isothiocyanato-4-nitro
Molecular FormulaO2NC6H4NCS
Molecular Weight180.18
Purity98%
Density1.3±0.1 g/cm3
Boiling Point137-138 °C/11 mmHg (lit.)
Melting Point110-112 °C (lit.)
Appearancepowder
EINECS218-359-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2131-61-5 |
| Catalog No. | 2A-9006039 |
| Chinese Name | 4-硝基苯基异硫氰酸酯 |
| Synonyms | 4-nitro-phenyl isothiocyanate; 1-Isothiocyanato-4-nitrobenzene; EINECS 218-359-9; p-Nitrophenyl isothiocyanate; MFCD00007307; 4-Nitrophenyl isothiocyanate; Isothiocyanic Acid 4-Nitrophenyl Ester; para-nitrophenylisothiocyanate; N-p-nitrophenyl isothiocyanate; 4-nitrobenzenisothiocyanate; Benzene,1-isothiocyanato-4-nitro |
| Molecular Formula | O2NC6H4NCS |
| Molecular Weight | 180.18 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 137-138 °C/11 mmHg (lit.) |
| Melting Point | 110-112 °C (lit.) |
| Appearance | powder |
| Water Solubility | Soluble in: Toluene |
| Storage Condition | Store in inert gas; avoid moisture (decomposition) |
| Packaging | III |
| EINECS | 218-359-9 |
| HTC | 2930909090 |
| PubChem ID | 24857115 |
| MDL Number | MFCD00007307 |
| SMILES | [O-][N+](=O)c1ccc(cc1)N=C=S |
| InChI | 1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H |
| InChI Key | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| Beilstein/REAXYS | 640027 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1(b) |
| Risk Codes | 36/37/38-42 |
| Safety Description | 22-26-36 |
| MSDS | msds/6039_1_2131_61_5.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: 3335 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods Aviation regulated solid, n.o.s. (4-Nitrobenzyl-isothiocyanate) 14.3 Transport hazard categories European land transport danger code: -International sea transport danger code: -International air transport danger code: 9 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: III 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 The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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