Grundinformationen
- Standard-SMILES
CC(C)(C)N=C=O- InChIKey
MGOLNIXAPIAKFM-UHFFFAOYSA-N- Summenformel
- C5H9NO
- Durchschnittliche Molmasse
- 99,13 g/mol
- Monoisotopische Masse
- 99,06841391
Überblick
Tert-butyl isocyanate appears as a clear colorless liquid with a pungent odor. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl isocyanate
- IUPAC
- 2-isocyanato-2-methylpropane
- Lokaler Name
- tert-Butylisocyanat
- Englischer Name
- tert-Butylisocyanate
- Summenformel
- C5H9NO
- Molmasse
- 99.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1609-86-5- PubChem CID
- 62412
- DTXSID
DTXSID6061818- UNII
- 2RHQ1BS36D
- EC Number
- 216-544-9
- Nikkaji
- J68.769C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 95,1
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Monoisocyanates
Flammable agents - 3rd degree
Physical Description
Tert-butyl isocyanate appears as a clear colorless liquid with a pungent odor. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
Colorless liquid with a pungent odor; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- 85.5 °C · 85.5°C
- Siedepunkt
- 85 · 85-86 °C(lit.)
- Dichte
- 0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
- Dampfdruck
- 79 hPa · 79hPa at 20℃
- Brechungsindex
- 20 · n20/D 1.386(lit.)
- Flammpunkt
- 24 °F · 24 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Soluble), DMSO (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Wasserlöslichkeit
- 1000 g/L · 1000g/L at 25℃
- BRN
- 969479 · 969479
- Stabilität
- Hygroscopic, Moisture Sensitive
- LogP
- 0.4 · 0.4
- CAS Datenbank
- 1609 · 1609-86-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propane, 2-isocyanato-2-methyl-(1609-86-5)
- EPA chemische Informationen
- tert-Butyl isocyanate (1609-86-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 194 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 03-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12810
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Reactivity Profile
TERT-BUTYL ISOCYANATE can react exothermically with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides. May undergo polymerization with acids and bases. May react with water to form tert-butylamine and 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].
DOT Hazard Classification
tert-Butyl isocyanate
UN2484
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG I: the degree of danger presented by the material is great
Sicherheit und Schutzausrüstung
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
Small spill:
Small spill:
Protective Action Criteria (PAC)
1.1 [mg/m3]
12 [mg/m3]
70 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2484
- hs_code
- 29291090
- risk_code
- 11-14-22-26-34-37-42-36/37/38-23/24/25-10
- hazard_code
- F,T+,T
- safety_code
- 16-26-36/37/39-45-43-30-7/9
- hazard_class
- 6.1
- packing_group
- I
Chemie und Industrie
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