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나프탈렌디아이소시아네이트

1,5-Naphthalene diisocyanate

HCID 18503
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
25551-28-4
표준 SMILES
O=C=Nc1cccc2c(N=C=O)cccc12
InChIKey
SBJCUZQNHOLYMD-UHFFFAOYSA-N
분자식
C12H6N2O2
평균 분자량
210.19 g/mol
단동위원소 질량
210.04292743

개요

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

이름 및 식별자

우선 이름
1,5-Naphthalene diisocyanate
IUPAC
1,5-diisocyanatonaphthalene
현지명
나프탈렌디아이소시아네이트
영어명
Naphthalene diisocyanate
분자식
C12H6N2O2
분자량
210.18824

이름 및 동의어

3173-72-61,5-Naphthalene diisocyanate1,5-Naphthylene diisocyanateNaphthalene, 1,5-diisocyanato-1,5-Naphthyl diisocyanate1,5-Naphthylene di-isocyanate0ORB22ST7MDTXSID8040145NSC-240728RefChem:73516DTXCID6020145221-641-4
이름 더 보기
나프탈렌디아이소시아네이트
Naphthalene diisocyanate1,5-Diisocyanatonaphthalene1,5-naphthalenediisocyanateISOCYANIC ACID, 1,5-NAPHTHYLENE ESTERMFCD00039588CCRIS 8920EINECS 221-641-4UNII-0ORB22ST7M

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
4.8
극성 표면적
58.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
16
형식 전하
0
복잡도
309

실험 및 물리화학적 성질

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

311 °F (NIOSH, 2024)

192 °C c.c.

311 °F

(oc) 311 °F

Boiling Point · 4건

505 °F at 760 mmHg (NIOSH, 2024)

at 0.7kPa: 167 °C

505 °F

505 °F

Melting Point · 4건

261 °F (NIOSH, 2024)

130 °C

261 °F

261 °F

Vapor Pressure · 5건

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 · 6건

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.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 6건

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 · 2건

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.

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

Paint and Coating Manufacturing

Naphthalene, 1,5-diisocyanato-: ACTIVE

관련 반응

9건
반응 기록 만들기
HRID 327381 반응식
HRID 327381반응물로uspto-grants-1993_12
HRID 372943 반응식
HRID 372943반응물로uspto-grants-1992_11
HRID 436725 반응식
HRID 436725반응물로uspto-grants-1977_06
HRID 466956 반응식
HRID 466956반응물로uspto-grants-1992_10
HRID 486855 반응식
HRID 486855반응물로uspto-grants-1994_03
HRID 1065609 반응식
HRID 1065609생성물로uspto-grants-1982_05
HRID 1729005 반응식
HRID 1729005반응물로uspto-grants-1994_07
HRID 2248077 반응식
HRID 2248077반응물로uspto-grants-1991_08
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물리화학적 성질

EPA
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 · 1건

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.

안전 및 보호

Fire Fighting · 2건

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

Use foam, powder, carbon dioxide. NO water.

First Aid Measures · 4건

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 · 2건

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 · 1건

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!

독성 정보

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

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 · 5건

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 · 5건

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