기본 정보
- 표준 SMILES
CC(CCN=C=O)CC(C)(C)CN=C=O- InChIKey
ATOUXIOKEJWULN-UHFFFAOYSA-N- 분자식
- C11H18N2O2
- 평균 분자량
- 210.27 g/mol
- 단동위원소 질량
- 210.13682782
개요
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
이름 및 식별자
- 우선 이름
- 1,6-Diisocyanato-2,2,4-trimethylhexane
- IUPAC
- 1,6-diisocyanato-2,2,4-trimethylhexane
- 현지명
- 1,6-디이소시아네이토-2,2,4-트리메틸헥산
- 영어명
- 2,2,4-trimethylhexa-1,6-diyl diisocyanate
- 분자식
- C11H18N2O2
- 분자량
- 210.27
이름 및 동의어
1,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE16938-22-02,2,4-Trimethylhexamethylene diisocyanate2,2,4-Trimethylhexa-1,6-diyl diisocyanateHexane, 1,6-diisocyanato-2,2,4-trimethyl-2,2,4-Trimethyl-1,6-diisocyanatohexaneX92D8F674PEINECS 241-001-8DTXSID00446022,2,4-trimethyl-1,6-hexamethylene diisocyanate2,2,4-TRIMETHYLHEXANE 1,6-DIISOCYANATERefChem:417587
이름 더 보기
1,6-디아이소시아네이토-2,2,4-트리메틸헥산1,6-디이소시아네이토-2,2,4-트리메틸헥산2,2,4-트리메틸헥사-1,6-디일디이소시아네이트2,2,4-Trimethyl-1,6-diisocyanatohexane.2,2,4-Trimethylhexane-1,6-diyldiisocyanate2,2,4-Trimethyl-1,6-hexanediyldiisocyanate(2,2,4-Trimethylhexane-1,6-diyl)diisocyanate2,2,4- Trimethylcyclohexamethylen-1,6-diisocyanat
DTXCID80246021,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE, (+-)-32052-51-0Hexane, 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethyl-UNII-X92D8F674P2,2,4-TrimethylhexamethylenediisocyanateSCHEMBL37901SCHEMBL8772830
데이터베이스 식별자
- CAS
16938-22-0、32052-51-0- PubChem CID
- 61858
- DTXSID
DTXSID0044602- UNII
- X92D8F674P
- EC Number
- 241-001-8
- Nikkaji
- J27.138A
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 274
실험 및 물리화학적 성질
Physical Description
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
Liquid
물리화학적 성질
- 끓는 점
- 283.8 · 283.8±23.0 °C(Predicted)
- 밀도
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- 물리적 상태
- liquid
- EPA
- 2 · 2,2,4-Trimethylhexamethylene diisocyanate (16938-22-0)
안전 및 규제
GHS 분류
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H315 (100%): 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
Hazard Traits - Respiratory Toxicity
Hexane, 1,6-diisocyanato-2,2,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-diisocyanato-2,2,4-trimethyl- 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)
2,2,4-trimethylhexamethylene-1,6-di-isocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reactive GroupIsocyanates and Isothiocyanates
Reactivity AlertsWater-Reactive
Reactivity Profile
Isocyanates and thioisocyanates, such as 2,2,4-TRIMETHYLHEXAMETHYLENE 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)].
Air and Water ReactionsContact with water or moist air generates toxic and flammable gases (amine and CO2).
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
안전 및 보호
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-10930
화학 및 산업
용도 및 제조
U.S. Production2023: 694,923 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
Hexane, 1,6-diisocyanato-2,2,4-trimethyl-: ACTIVE
응용 분야
일반 설명Yellow liquid.
공급사2 곳
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
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