tert-Butylisocyanat

tert-Butyl isocyanate

HCID 62412CAS 1609-86-5

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

TERT-BUTYL ISOCYANATE1609-86-52-Isocyanato-2-methylpropanePropane, 2-isocyanato-2-methyl-t-butylisocyanate1,1-Dimethylethyl isocyanateIsocyanic acid, tert-butyl ester2RHQ1BS36DDTXSID6061818RefChem:894669DTXCID3035181216-544-9
Weitere Namen anzeigen
TERT-BUTYL ISOCYANATE, STAB.t-C4H9NCOTertbuty IsocyanateTert-Butyl Isocyanatleft-Butyl isocyanate
tert-butylisocyanateT-BUTYL ISOCYANATE2-isocyanato-2-methyl-propaneIsocyanic Acid tert-Butyl EsterMFCD00002035Butyl isocyanate, Tert-UNII-2RHQ1BS36DCCRIS 3590

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density0.8670 @ 7°C
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory Information · 2 Einträge

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.)

DOT LabelPoison Inhalation Hazard Flammable Liquid
Fire Hazards · 2 Einträge

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 · 2 Einträge

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.

Hazards SummaryHighly flammable and water-reactive; Skin contact may cause burns and inhalation severe injury and death; Corrosive and flammable gases may be released; Vapors are heavier than air; Combustion produces oxides of nitrogen; [CAMEO]

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Accidental Release Measures · 2 Einträge

· 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 · 2 Einträge

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection · 2 Einträge

· 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].

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Isolation and Evacuation · 4 Einträge

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Immediate precautionary measure

Small spill:

Small spill:

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 2-isocyanato-2-methyl-: ACTIVE

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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