1-(1-이소시아네이토-1-메틸에틸)-3-(1-메틸에텐일)벤젠
1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
기본 정보
- CAS
2094-99-7- 표준 SMILES
C=C(C)c1cccc(C(C)(C)N=C=O)c1- InChIKey
ZVEMLYIXBCTVOF-UHFFFAOYSA-N- 분자식
- C13H15NO
- 평균 분자량
- 201.26 g/mol
- 단동위원소 질량
- 201.1153641
이름 및 식별자
- 우선 이름
- 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- IUPAC
- 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
- 현지명
- 1-(1-이소시아네이토-1-메틸에틸)-3-(1-메틸에텐일)벤젠
- 영어명
- 3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- 분자식
- C13H15NO
- 분자량
- 201.26
이름 및 동의어
2094-99-73-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzeneBenzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-RY29G3V80MIsocyanic acid meta-isopropenyl-alpha,alpha-dimethylbenzyl esterRefChem:944863-TMI402-440-23-Isopropenylcumyl Isocyanate1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene3-isopropenyl-alpha,alpha-dimethylbenzylisocyanate
이름 더 보기
3-아이소프로페닐-알파,알파-다이메틸벤질아이소사이네이트1-(1-이소시아네이토-1-메틸에틸)-3-(1-메틸에텐일)벤젠3-[(프롭-1-엔-2-일)페닐]프롭-2-일이소시안산3-[(프롭-1-엔-2-일)페닐]프롭-2-일이소시안산3-아이소프로페닐-알파,알파-다이메틸벤질 아이소사이네이트1-(1-아이소사이아네이토-1-메틸에틸)-3-(1-메틸에테닐)벤젠1-(1-아이소사이아네이토-1-메틸에틸)-3-아이소프로필벤젠2-(3-(프로프-1-엔-2-일)페닐)프로프-2-일 아이소사이아네이트3-[(프로프-1-엔-2-일)페닐]프로프-2-일 아이소사이아네이트3-[(프롭-1-엔-2-일)페닐]프롭-2-일 이소시안산3-아이소프로필-알파,알파'-다이메틸벤질 아이소사이아네이트m-아이소프로펜일큐밀 아이소사이아네이트m-아이소프로필-알파,알파-다이메틸벤질 아이소사이아네이트아이소시안산, m-아이소프로필-알파,알파-다이메틸벤질 에스터아이소프로필-알파,알파-다이메틸벤질 아이소사이아네이트알파,알파-다이메틸-m-아이소프로필벤질 아이소사이아네이트3-아이소프로페닐-알파,알파-다이메틸벤질 아이소사이네이트m-tetramethylxyleneisocyanate3-Isopropenyl-7-isocyanatocumene
데이터베이스 식별자
- CAS
2094-99-7- PubChem CID
- 604152
- DTXSID
DTXSID9044871- ChEMBL
CHEMBL3184458- UNII
- RY29G3V80M
- EC Number
- 402-440-2、606-676-9
- Nikkaji
- J157.799I
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 287
실험 및 물리화학적 성질
SpringerMaterials PropertiesViscosity
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 268 · 268-271 °C(lit.)
- 밀도
- 1.018 g/mL · 1.018 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.53(lit.)
- 인화점
- 230 °F · >230 °F
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- InChI
- 1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
- InChIKey
- ZVEMLYIXBCTVOF-UHFFFAOYSA-N
- SMILES
- CC(=C)c1cccc(c1)C(C)(C)N=C=O
- EPA
- m-Isopropenyl cumyl isocyanate (2094-99-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P233, P260, P261, P264, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
Hazard Traits - Respiratory Toxicity
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene (EC: 402-440-2)
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-: 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.
Hazard Classes and Categories
Skin Corr. 1B (100%)
Skin Corr. 1B (100%)
Acute toxicity - category 2
Acute Tox. 2 *
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
Adhesive Manufacturing
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-: ACTIVE
응용 분야
용도m-TMI can be used as a tetrafunctional isocyanate which can further be used in the development of polymer electrolyte. It can be used as a coupling agent in the preparation of jute reinforced polypropylene.
일반 설명3-Isopropenyl-α,α-dimethylbenzyl isocyanate (m-TMI) is a telechelic derivative that shows an α-unsaturation and has an isocyanate end group. It is majorly used in polymeric synthesis.
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