3,4-Dichlorophenyl isocyanate , 97% , 102-36-3
CAS NO.：102-36-3
Empirical Formula: C7H3Cl2NO
Molecular Weight: 188.01
MDL number: MFCD00002017
EINECS: 203-026-2
PRODUCT Properties
| Melting point: | 41-43 °C(lit.) |
| Boiling point: | 118-120 °C18 mm Hg(lit.) |
| Density | 1.3256 (rough estimate) |
| vapor pressure | 0.2 mm Hg ( 20 °C) |
| refractive index | 1.5750 (estimate) |
| Flash point: | >230 °F |
| form | powder to lump |
| color | White to Almost white |
| Odor | wh. to yel. cryst. solid with irritating odor |
| Water Solubility | decomposes |
| Sensitive | Moisture Sensitive |
| BRN | 608325 |
| InChI | 1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H |
| InChIKey | MFUVCHZWGSJKEQ-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1Cl)N=C=O |
| LogP | 3.88 |
| CAS DataBase Reference | 102-36-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1,2-dichloro-4-isocyanato-(102-36-3) |
| EPA Substance Registry System | 3,4-Dichlorophenyl isocyanate (102-36-3) |
Description and Uses
The dichlorophenyl isocyanates are combustible, crystalline (sugar- or sand-like) solids. In general, theyare white to yellow in color, but the 1,4-dichloro-2-phenylisomer is white to light green. Their flash points are generally .113℃ but that of the 1,3-dichloro-2-phenyl isomer isreported as 77℃. These chemicals are insoluble in water,and some may be reactive. 1,2-dichloro-4-isomer (CAS102-36-3) is the isomer of regulatory focus: Freezing/Melting point=42-43℃. Molecular weight=188.01;Boiling point=243℃; Freezing/Melting point=42℃.Reacts with water.
Methyl-labeled diuron was prepared by the reaction of 3,4-dichlorophenyl- isocyanate with C '"labeled dimethylamine.Substituted urea derivatives were prepared by reacting 3,4-dichlorophenyl isocyanate with amino acids, dipeptides, histamine. The R- and S-isomers and RS-racemate of MBPU were synthesized by allowing equimolar quantities of 3,4-dichlorophenyl- isocyanate
Safety
| Symbol(GHS) |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301-H315-H317-H319-H332-H334-H335 |
| Precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard Codes | T |
| Risk Statements | 23-36/37/38-42 |
| Safety Statements | 22-26-36/37/39-45 |
| RIDADR | UN 2250 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | NQ8760000 |
| F | 1-8-10-19 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29291090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Resp. Sens. 1 Skin Sens. 1A STOT SE 3 |
| Hazardous Substances Data | 102-36-3(Hazardous Substances Data) |
| Limited Quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
