트리메틸-1,6-헥사메틸렌디이소시아네이트
Hexane, 1,6-diisocyanato-2,4,4-trimethyl-
기본 정보
- CAS
15646-96-5- 표준 SMILES
CC(CN=C=O)CC(C)(C)CCN=C=O- InChIKey
QGLRLXLDMZCFBP-UHFFFAOYSA-N- 분자식
- C11H18N2O2
- 평균 분자량
- 210.27 g/mol
- 단동위원소 질량
- 210.13682782
이름 및 식별자
- 우선 이름
- Hexane, 1,6-diisocyanato-2,4,4-trimethyl-
- IUPAC
- 1,6-diisocyanato-2,4,4-trimethylhexane
- 현지명
- 트리메틸-1,6-헥사메틸렌디이소시아네이트
- 영어명
- Trimethyl-1,6-hexamethylene diisocyanate
- 분자식
- C11H18N2O2
- 분자량
- 210.27
이름 및 동의어
15646-96-52,4,4-Trimethylhexamethylene diisocyanateHexane, 1,6-diisocyanato-2,4,4-trimethyl-2,4,4-TRIMETHYL-1,6-DIISOCYANATOHEXANEEINECS 239-714-4DTXSID70864611RefChem:146114DTXCID708131091,6-diisocyanato-2,4,4-trimethylhexane2,4,4-Trimethylhexa-1,6-diyl diisocyanate2,4,4-trimethylhexamethylenediisocyanatetrimethyl-1,6-hexamethylene diisocyanate
이름 더 보기
트리메틸-1,6-헥사메틸렌디이소시아네이트2,4,4-trimethylhexane-1,6-diisocyanate1,6-diisocyanato-2,4,4-trimethyl-hexan1,6-diisocyanato-2,4,4-trimethyl-HexaneHEXANE,1,6-DIISOCYANATO-2,4,4-TRIMETHYL-2,4,4-Trimethylhexane-1,6-diyldiisocyanate(2,4,4-Trimethylhexane-1,6-diyl)diisocyanate
2,4,4-trimethylhexamethylenediisocyanate [Diisocyanates]SCHEMBL27676SCHEMBL28747627DB-276675NS00051135
데이터베이스 식별자
- CAS
15646-96-5- PubChem CID
- 61807
- DTXSID
DTXSID70864611- EC Number
- 239-714-4
- Nikkaji
- J27.139J
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 DescriptionLiquid
물리화학적 성질
- 끓는 점
- 283.8 · 283.8±23.0 °C(Predicted)
- 밀도
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- EPA
- 2 · 2,4,4-Trimethylhexamethylene diisocyanate (15646-96-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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, 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: Hexane, 1,6-diisocyanato-2,4,4-trimethyl-
Hexane, 1,6-diisocyanato-2,4,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-diisocyanato-2,4,4-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)
2,4,4-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 Profile
화학 및 산업
용도 및 제조
U.S. Production2023: 972,892 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Material and Resin Manufacturing
Hexane, 1,6-diisocyanato-2,4,4-trimethyl-: ACTIVE
관련 반응
9건
화합물 노트
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