CAS Number40397-96-4
SynonymsMFCD00037062; 1-Chloro-4-isocyanato-2-nitrobenzene; Isocyanic Acid 4-Chloro-3-nitrophenyl Ester
Molecular FormulaClC6H3(CH3)NCO
Molecular Weight167.59
Purity98%
Density1.5±0.1 g/cm3
Boiling Point107 °C/3 mmHg (lit.)
Melting Point65 °C
AppearanceSolid;White to Yellow to Green powder to crystal
EINECS249-050-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 40397-96-4 |
| Catalog No. | 2A-9005609 |
| Chinese Name | 异氰酸4-氯-3-硝基苯酯 |
| Synonyms | MFCD00037062; 1-Chloro-4-isocyanato-2-nitrobenzene; Isocyanic Acid 4-Chloro-3-nitrophenyl Ester |
| Molecular Formula | ClC6H3(CH3)NCO |
| Molecular Weight | 167.59 |
| Purity | 98 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 107 °C/3 mmHg (lit.) |
| Melting Point | 65 °C |
| Appearance | Solid;White to Yellow to Green powder to crystal |
| Storage Condition | Sealed, cool, dry storage |
| Packaging | III |
| EINECS | 249-050-7 |
| HTC | 2929109000 |
| PubChem ID | 24871480 |
| MDL Number | MFCD00013858 |
| SMILES | Cc1ccc(cc1Cl)N=C=O |
| InChI | 1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3 |
| InChI Key | UKTKKMZDESVUEE-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/5609_1_40397_96_4.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Proper shipping name: Isocyanate, Toxic, not otherwise specified |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: Item 1 Poisons. UN number: 2206 Proper shipping name: Isocyanate, Toxic, not otherwise specified Packing grade: III |
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| 4'-Bromobiphenyl-4-sulfonyl chloride | 13610-11-2 | 2A-9005500 |
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| 4-Chlorobenzenesulfonyl chloride | 98-60-2 | 2A-9005642 |
| 4-Chlorobenzensulfonyl isocyanate | 5769-15-3 | 2A-9005644 |
| 4-Chlorophenyl isocyanate | 104-21-1 | 2A-9005675 |
| 4-Cyanophenyl isocyanate | 40465-45-0 | 2A-9005702 |
| 4-Dimethlaminophenyl isocyanate | 16315-59-6 | 2A-9005709 |
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