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ナフタレンジイソシアナート

1,5-Naphthalene diisocyanate

HCID 18503
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
25551-28-4
標準SMILES
O=C=Nc1cccc2c(N=C=O)cccc12
InChIKey
SBJCUZQNHOLYMD-UHFFFAOYSA-N
分子式
C12H6N2O2
平均分子量
210.19 g/mol
単同位体質量
210.04292743

概要

1,5-naphthalene diisocyanate is a white to light-yellow crystalline flakes. (NIOSH, 2024)

名称と識別子

優先名称
1,5-Naphthalene diisocyanate
IUPAC
1,5-diisocyanatonaphthalene
現地名
ナフタレンジイソシアナート
英語名
Naphthalene diisocyanate
分子式
C12H6N2O2
分子量
210.18824

名称と別名

3173-72-61,5-Naphthalene diisocyanate1,5-Naphthylene diisocyanateNaphthalene, 1,5-diisocyanato-1,5-Naphthyl diisocyanate1,5-Naphthylene di-isocyanate0ORB22ST7MDTXSID8040145NSC-240728RefChem:73516DTXCID6020145221-641-4
名称をさらに表示
ナフタレンジイソシアナート
Naphthalene diisocyanate1,5-Diisocyanatonaphthalene1,5-naphthalenediisocyanateISOCYANIC ACID, 1,5-NAPHTHYLENE ESTERMFCD00039588CCRIS 8920EINECS 221-641-4UNII-0ORB22ST7M

データベース識別子

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

物性

構造計算による物性補完中

XLogP
4.8
極性表面積
58.9 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
16
形式電荷
0
複雑度
309

実験および物理化学的性質

PolymersPlastics & Rubber -> Diisocyanates
DensityRelative density (water = 1): 1.42
Flash Point · 4 件

311 °F (NIOSH, 2024)

192 °C c.c.

311 °F

(oc) 311 °F

Boiling Point · 4 件

505 °F at 760 mmHg (NIOSH, 2024)

at 0.7kPa: 167 °C

505 °F

505 °F

Melting Point · 4 件

261 °F (NIOSH, 2024)

130 °C

261 °F

261 °F

Vapor Pressure · 5 件

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 · 6 件

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.

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 6 件

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 · 2 件

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.

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

Paint and Coating Manufacturing

Naphthalene, 1,5-diisocyanato-: ACTIVE

関連反応

9 件
反応記録を作成
HRID 327381 の反応式
HRID 327381反応物としてuspto-grants-1993_12
HRID 372943 の反応式
HRID 372943反応物としてuspto-grants-1992_11
HRID 436725 の反応式
HRID 436725反応物としてuspto-grants-1977_06
HRID 466956 の反応式
HRID 466956反応物としてuspto-grants-1992_10
HRID 486855 の反応式
HRID 486855反応物としてuspto-grants-1994_03
HRID 1065609 の反応式
HRID 1065609生成物としてuspto-grants-1982_05
HRID 1729005 の反応式
HRID 1729005反応物としてuspto-grants-1994_07
HRID 2248077 の反応式
HRID 2248077反応物としてuspto-grants-1991_08
1 / 2 ページ

化合物ノート

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物理化学的性質

EPAの化学物質情報
Naphthalene diisocyanate (25551-28-4)
Reactive GroupIsocyanates and Isothiocyanates
EC ClassificationSymbol: Xn; R: 20-36/37/38-42-52/53; S: (2)-26-28-38-45-61
Reactivity Profile · 1 件

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.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Use foam, powder, carbon dioxide. NO water.

First Aid Measures · 4 件

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 · 2 件

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 · 1 件

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!

毒性情報

Target OrgansEyes, respiratory system
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure Routes · 2 件

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 · 5 件

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 · 5 件

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