1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
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Grundinformationen
- CAS
2094-99-7- Standard-SMILES
C=C(C)c1cccc(C(C)(C)N=C=O)c1- InChIKey
ZVEMLYIXBCTVOF-UHFFFAOYSA-N- Summenformel
- C13H15NO
- Durchschnittliche Molmasse
- 201,26 g/mol
- Monoisotopische Masse
- 201,1153641
Namen und Bezeichner
- Bevorzugter Name
- 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- IUPAC
- 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
- Englischer Name
- 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE
- Summenformel
- C13H15NO
- Molmasse
- 201.26
Namen und Synonyme
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
Weitere Namen anzeigen
m-tetramethylxyleneisocyanate3-Isopropenyl-7-isocyanatocumeneISOCYANIC ACID 3-ISOPROPENYLCUMYL ESTER3-isopropenyl-N-isopropylidene-benzamide3-Isopropenyl-alpha,alpha-dimethylbenzyl3-isopropenyl-α,α-dimethylbenzyl isocyanatem-Isopropenyl-α,α-dimethylbenzyl isocyanatea, a-Dimethyl 3-isopropenylbenzyl isocyanate
m-TMI1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzeneMFCD00080490DTXSID90448711-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene3-Isopropenyl-.alpha.,.alpha.-dimethylbenzyl isocyanate1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene
Datenbank-Bezeichner
- CAS
2094-99-7- PubChem CID
- 604152
- DTXSID
DTXSID9044871- ChEMBL
CHEMBL3184458- UNII
- RY29G3V80M
- EC Number
- 402-440-2、606-676-9
- Nikkaji
- J157.799I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 287
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesViscosity
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 268 · 268-271 °C(lit.)
- Dichte
- 1.018 g/mL · 1.018 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.53(lit.)
- Flammpunkt
- 230 °F · >230 °F
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- 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
- CAS Datenbank
- 2094 · 2094-99-7(CAS DataBase Reference)
- EPA chemische Informationen
- m-Isopropenyl cumyl isocyanate (2094-99-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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)
Gefahrenhinweise
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 *
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2206 6.1/PG 3
- hs_code
- 2929.10.8090
- RTECS-Nr.
- DA3685000
- risk_code
- 26-34-42/43-48/20-50/53
- hazard_code
- T+,N
- safety_code
- 7-15-28-36/37/39-38-45-60-61
- hazard_class
- 6.1(a)
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1STOT RE 2 Inhalation
- Selbstentzündungstemperatur
- 838 °F
Chemie und Industrie
Verwendung und Herstellung
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
Anwendungen
Verwendenm-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.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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