기본 정보
- 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
- 1,5-나프탈렌 다이아이소사이안산
- 영어명
- 1,5-Naphthalene diisocyanate
- 분자식
- C12H6N2O2
- 분자량
- 210.19
이름 및 동의어
이름 더 보기
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 물성
- 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
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.
물리화학적 성질
- 녹는점
- 130 °C · 130°C
- 끓는 점
- 244 °C · 244°C (100 torr)
- 밀도
- 1.45 · 1.45
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- powder to lump
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 용해 가능한
- 안정성
- 흡습성
- InChIKey
- SBJCUZQNHOLYMD-UHFFFAOYSA-N
- LogP
- 0.91 at · 0.91 at 25℃
- NIST
- 1 · Naphthalene, 1,5-diisocyanato-(3173-72-6)
- EPA
- 1 · 1,5-Naphthalene diisocyanate (3173-72-6)
화학적 성질
Naphthylene 1,5-diisocyanate is a solid, m.p. 128°C. It has a lower vapour pressure than tolylene diisocyanate and is therefore less toxic in use; it does, however, have sensitizing properties.
안전 및 규제
GHS 분류
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)
유해성 정보
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
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.
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)].
안전 및 보호
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)
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.
독성 정보
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
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
안전 데이터
- 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 번호
- 29291090
- risk_code
- 20-36/37/38-42-52/53-37-26-36/38
- hazard_code
- Xn
- safety_code
- 26-28-38-45-61-42-36-51-22
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-25713
화학 및 산업
용도 및 제조
Uses
Occupational asthma reported in rubber manufacturing; [Malo]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information
Paint and Coating Manufacturing
Naphthalene, 1,5-diisocyanato-: ACTIVE
응용 분야
개요Naphthalene 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.
용도Manufacture of polyurethane solid elastomers.
일반 설명White to light-yellow crystalline flakes.
제조 방법
Naphthylene 1,5-diisocyanate (NDI) is prepared from naphthalene as follows:
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
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