Basic information
- Standard SMILES
O=C=Nc1cccc2c(N=C=O)cccc12- InChIKey
SBJCUZQNHOLYMD-UHFFFAOYSA-N- Molecular formula
- C12H6N2O2
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.04292743
Overview
1,5-naphthalene diisocyanate is a white to light-yellow crystalline flakes. (NIOSH, 2024)
Names & identifiers
- Preferred name
- 1,5-Naphthalene diisocyanate
- IUPAC
- 1,5-diisocyanatonaphthalene
- English name
- 1,5-Naphthalene diisocyanate
- Molecular formula
- C12H6N2O2
- Molecular weight
- 210.19
Names & synonyms
3173-72-61,5-Naphthalene diisocyanate1,5-Naphthylene diisocyanateNaphthalene, 1,5-diisocyanato-1,5-Naphthyl diisocyanate1,5-Naphthylene di-isocyanate0ORB22ST7MDTXSID8040145NSC-240728RefChem:73516DTXCID6020145221-641-4
Show more names
ndi1,5-naphthaleneNaphthylene-1,5-diisocyanate1,5-NDI40KGS/DRUMdesmodur151,5-Naphthalene diisNAPHTHYLENEDIISOCYANATE
Naphthalene diisocyanate1,5-Diisocyanatonaphthalene1,5-naphthalenediisocyanateISOCYANIC ACID, 1,5-NAPHTHYLENE ESTERMFCD00039588CCRIS 8920EINECS 221-641-4UNII-0ORB22ST7M
Database identifiers
- CAS
25551-28-4、3173-72-6- PubChem CID
- 18503
- DTXSID
DTXSID8040145- ChEBI
CHEBI:82496- UNII
- 0ORB22ST7M
- EC Number
- 221-641-4
- Nikkaji
- J41.091H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Diisocyanates
DensityRelative density (water = 1): 1.42
Flash Point
311 °F (NIOSH, 2024)
192 °C c.c.
311 °F
(oc) 311 °F
Boiling Point
505 °F at 760 mmHg (NIOSH, 2024)
at 0.7kPa: 167 °C
505 °F
505 °F
Melting Point
261 °F (NIOSH, 2024)
130 °C
261 °F
261 °F
Vapor Pressure
0.003 mmHg at 75 °F (NIOSH, 2024)
0.003 [mmHg]
Vapor pressure, Pa at 20 °C:
0.003 mmHg
(75 °F): 0.003 mmHg
Physical Description
1,5-naphthalene diisocyanate is a white to light-yellow crystalline flakes. (NIOSH, 2024)
Large Crystals
White to light-yellow, crystalline flakes; [NIOSH]
WHITE-TO-LIGHT-YELLOW CRYSTALS.
White to light-yellow, crystalline flakes.
White to light-yellow, crystalline flakes.
Physicochemical properties
- Melting point
- 130 °C · 130°C
- Boiling point
- 244 °C · 244°C (100 torr)
- Density
- 1.45 · 1.45
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- powder to lump
- color
- White to Light yellow
- Water Solubility
- soluable
- Stability
- Hygroscopic
- InChIKey
- SBJCUZQNHOLYMD-UHFFFAOYSA-N
- LogP
- 0.91 at · 0.91 at 25℃
- CAS DataBase Reference
- 3173 · 3173-72-6(CAS DataBase Reference)
- REACH Annex XVII Substances List
- 1 · 1,5-naphthylene diisocyanate (3173-72-6)
- EWG's Food Scores
- 5 · 5
- FDA UNII
- 0 ORB22ST7M · 0ORB22ST7M
- IARC
- 3 · 3 (Vol. 19, Sup 7, 71) 1999
- NIST Chemistry Reference
- 1 · Naphthalene, 1,5-diisocyanato-(3173-72-6)
- EPA Substance Registry System
- 1 · 1,5-Naphthalene diisocyanate (3173-72-6)
- Symbol(GHS)
- 6 · GHS06,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H330-H334-H335-H412
- Precautionary statements
- 260 · P260-P264-P271-P273-P280-P284-P302+P352+P332+P313+P362+P364-P304+P340+P310-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20-36/37/38-42-52/53-37-26-36/38
- Safety Statements
- 26 · 26-28-38-45-61-42-36-51-22
- OEB
- D
- OEL
- 0.04 mg/m3 · TWA: 0.040 mg/m3 (0.005 ppm), Ceiling: 0.170 mg/m3 (0.020 ppm) [10-minute]
- RIDADR
- 2206 · 2206
- RTECS
- 9600000 · NQ9600000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29291090 · 29291090
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Naphthalene, 1,5-diisocyanato-
Hazard Traits - Respiratory Toxicity
Naphthalene, 1,5-diisocyanato- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 1,5-diisocyanato- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10913
Restricted substance: 1,5-naphthylene diisocyanate
1,5-Naphthylene diisocyanate: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health HazardsExcerpt from NIOSH Pocket Guide for Naphthalene diisocyanate:
Hazards SummaryMay cause skin sensitization; [ICSC] Biological monitoring of exposure to 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate. [PMID 16506043] See DIISOCYANATES.
Reactive GroupIsocyanates and Isothiocyanates
EC ClassificationSymbol: Xn; R: 20-36/37/38-42-52/53; S: (2)-26-28-38-45-61
Reactivity Profile
Isocyanates and thioisocyanates, such as 1,5-NAPHTHALENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Chemical DangersDecomposes on heating. This produces toxic fumes of nitrogen oxides, carbon monoxide, isocyanates and hydrogen cyanide. Reacts with acids, alcohols, amines, bases, strong oxidants, strong reducing agents and water.
Flammable LimitsCombustible Solid
Packaging and LabellingDo not transport with food and feedstuffs.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire Fighting
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Use foam, powder, carbon dioxide. NO water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Rest. Refer for medical attention .
First Aid
Excerpt from NIOSH Pocket Guide for Naphthalene diisocyanate:
(General first aid procedures)
Safe StorageSee Chemical Dangers. Well closed.
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Spillage Disposal
Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance.
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection if powder.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST! STRICT HYGIENE!
Toxicology
Target OrgansEyes, respiratory system
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure Routes
The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.
inhalation, ingestion, skin and/or eye contact
Signs and Symptoms
Cough. Laboured breathing. Sore throat.
Redness. Pain.
Redness. Pain.
Abdominal pain. Sore throat.
irritation eyes, nose, throat; resp sensitization, cough, pulmonary secretions, chest pain, dyspnea (breathing difficulty); asthma
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Carcinogen Classification
1,5-Naphthalene diisocyanate
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 19: (1979) Some Monomers, Plastics and Synthetic Elastomers, and Acrolein
1999
1998
Safety data
- OEB
- D
- OEL
- TWA: 0.040 mg/m3 (0.005 ppm), Ceiling: 0.170 mg/m3 (0.020 ppm) [10-minute]
- tsca
- TSCA listed
- rtecs
- NQ9600000
- ridadr
- 2206
- hs_code
- 29291090
- risk_code
- 20-36/37/38-42-52/53-37-26-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-28-38-45-61-42-36-51-22
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H315-H319-H330-H334-H335-H412
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P271-P273-P280-P284-P302+P352+P332+P313+P362+P364-P304+P340+P310-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Uses
Occupational asthma reported in rubber manufacturing; [Malo]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesMonomers
General Manufacturing Information
Paint and Coating Manufacturing
Naphthalene, 1,5-diisocyanato-: ACTIVE
Applications
DescriptionNaphthalene diisocyanate (NDI) occurs as white to lightyellow crystalline flakes with a characteristic odor. NDI is incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions. NDI can react with water to form amines and liberate carbon dioxide.
UsesNaphthylene 1,5-diisocyanate is mainly used for the production of elastomers.
UsesManufacture of polyurethane solid elastomers.
UsesNDI is used as a curing agent in the manufacture of elastomers.
General DescriptionWhite to light-yellow crystalline flakes.
Preparation methods
PreparationNaphthylene 1,5-diisocyanate (NDI) is prepared from naphthalene as follows:
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
杭州布朗生物医药科技有限公司15967138206
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州索森新材料科技有限公司18357035212 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海乐聚生物科技有限公司021-56328558 13917766064 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Xunteng International Trading Co.,Limited—
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
成都远大化工有限公司028-85356300 18980937689
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Additional notes
DefinitionChEBI: 1,5-Naphthalene diisocyanate is a member of naphthalenes.
Related reactions
9 records
Linked notes
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