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Cas Database |
| Name |
1,5-Naphthalene diisocyanate |
EINECS | 221-641-4 |
| CAS No. | 3173-72-6 | Density | 1.21 g/cm3 |
| PSA | 58.86000 | LogP | 2.77440 |
| Solubility | soluable in water | Melting Point |
130 °C |
| Formula | C12H6N2O2 | Boiling Point | 314.7 °C at 760 mmHg |
| Molecular Weight | 210.192 | Flash Point | 128.6 °C |
| Transport Information | UN 2206 | Appearance | White to light-yellow crystalline flakes |
| Safety | 26-28-38-45-61 | Risk Codes | 20-36/37/38-42-52/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1,5-Naphthalenediol,diisocyanate (5CI);Isocyanic acid, 1,5-naphthylene ester (6CI,8CI);1,5-Diisocyanatonaphthalene;1,5-NDI;1,5-Naphthyl diisocyanate;1,5-Naphthylene diisocyanate;NDI;NSC 240728; |
Article Data | 17 |
1,5-Naphthalene diisocyanate Synthetic route
- 124244-58-2
1,5-bis-(butoxycarbonylamino)-naphthalene
- 3173-72-6
1,5-diisocyanatonaphthalene
| Conditions | Yield |
|---|---|
| 1,2-dimethyl-3-ethylimidazole perchloric acid at 190 - 240℃; under 37.5038 Torr; for 2.16667h; | 91% |
- 51977-17-4
1,5-bis-(ethoxycarbonylamino)naphthalene
- 3173-72-6
1,5-diisocyanatonaphthalene
| Conditions | Yield |
|---|---|
| 1-ethyl-3-methylimidazolium tetrafluoroborate at 190 - 240℃; under 37.5038 Torr; for 2.16667h; | 85% |
| With boron trichloride; triethylamine In benzene for 0.5h; Heating; | 100 % Chromat. |
- 63896-10-6
dimethyl 1,5-naphthalenedicarbamate
- 3173-72-6
1,5-diisocyanatonaphthalene
| Conditions | Yield |
|---|---|
| 1-butyl-3-methylimidazolium Tetrafluoroborate at 200 - 240℃; under 37.5038 Torr; for 2.16667h; | 85% |
| With boron trichloride; triethylamine In benzene for 0.5h; Heating; | 98 % Chromat. |
| With nitrogen; cobalt(II) acetate In bisbenzyltoluene | |
| at 250℃; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In various solvent(s) for 1.5h; Condensation; Heating; | 23% |
| Conditions | Yield |
|---|---|
| With chlorobenzene; 1,2-dichloro-benzene at 140 - 160℃; | |
| With phenylsulfonyl fluoride at 90℃; | |
| With benzene at 140℃; under 19858.7 Torr; |
- 3173-72-6
1,5-diisocyanatonaphthalene
- 109-89-7
diethylamine
- 41915-94-0
1,5-bis(3,3-diethylureido)naphthalene
| Conditions | Yield |
|---|---|
| In toluene | 98% |
- 3173-72-6
1,5-diisocyanatonaphthalene
| Conditions | Yield |
|---|---|
| With dimethyl amine In toluene | 97% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,5-diisocyanatonaphthalene With dibutyltin(II) dilaurate; 4-methoxy-phenol In toluene at 40℃; for 0.166667h; Inert atmosphere; Stage #2: 2-(4-hydroxyphenyl)ethyl prop-2-enoate In toluene at 80℃; for 7h; Inert atmosphere; | 86% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,5-diisocyanatonaphthalene With dibutyltin(II) dilaurate; 4-methoxy-phenol In toluene at 40℃; for 0.166667h; Inert atmosphere; Stage #2: 2-hydroxyethyl acrylate In toluene at 40℃; for 4h; Inert atmosphere; | 85% |
1,5-Naphthalene diisocyanate Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.
1,5-Naphthalene diisocyanate Standards and Recommendations
DFG MAK: 0.01 ppm (0.087 mg/m3)
1,5-Naphthalene diisocyanate Specification
1. Introduction of 1,5-Naphthalene diisocyanate
1,5-Naphthalene diisocyanate is also called 1,5-Naphthylene di-isocyanate ; 1,5-Diisocyanatonaphthalene ; 1,5-Naphthyl diisocyanate ; 1,5-Naphthylene diisocyanate ; 4-13-00-00342 (Beilstein Handbook Reference) ; BRN 2212353 ; CCRIS 8920 ; EINECS 221-641-4 ; NSC 240728 ; Isocyanic acid, 1,5-naphthylene ester ; Naphthalene, 1,5-diisocyanato- ; 1,5-Naphthalene diisocyanate [Diisocyanates]. The IUPAC Name of 1,5-Naphthalene diisocyanate is 1,5-Diisocyanatonaphthalene.
2. Properties of 1,5-Naphthalene diisocyanate
Melting Point: 130°C
Polar Surface Area: 58.86 Å2
Index of Refraction: 1.618
Molar Refractivity: 60.56 cm3
Molar Volume: 172.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.21 g/cm3
Flash Point: 128.6 °C
Enthalpy of Vaporization: 55.59 kJ/mol
Boiling Point: 314.7 °C at 760 mmHg
Vapour Pressure: 0.000459 mmHg at 25°C
Classification Code: Tumor data
3. Toxicity of 1,5-Naphthalene diisocyanate
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | 270mg/m3/4H (270mg/m3) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | National Technical Information Service. Vol. OTS0572846, |
4. Safety Information of 1,5-Naphthalene diisocyanate
A powerful allergen. An irritant. Questionable carcinogen. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.
Hazard Codes of 1,5-Naphthalene diisocyanate (CAS NO.3173-72-6):
Xn Risk Statements: 20-36/37/38-42-52/53
R20: Harmful by inhalation.
R36/37/38: Irritating to eyes, respiratory system and skin.
R42: May cause sensitization by inhalation.
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-28-38-45-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S38: In case of insufficient ventilation, wear suitable respiratory equipment.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 2206
RTECS: NQ9600000
HazardClass: 6.1(b)
PackingGroup: III
5. Use of 1,5-Naphthalene diisocyanate
1,5-Naphthalene diisocyanate is used as intermediate.
6. Other details of 1,5-Naphthalene diisocyanate
1,5-Naphthalene diisocyanate should be keep away from heat, sparks, and flame. keep away from sources of ignition. and stored in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
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