Grundinformationen
- Standard-SMILES
CCCN=C=O- InChIKey
OQURWGJAWSLGQG-UHFFFAOYSA-N- Summenformel
- C4H7NO
- Durchschnittliche Molmasse
- 85,1 g/mol
- Monoisotopische Masse
- 85,05276384
Überblick
N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- Propyl isocyanate
- IUPAC
- 1-isocyanatopropane
- Lokaler Name
- Propylisocyanat
- Englischer Name
- Propyl isocyanate
- Summenformel
- C4H7NO
- Molmasse
- 85.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
110-78-1- PubChem CID
- 61033
- DTXSID
DTXSID5051571- ChEMBL
CHEMBL441027- UNII
- EW62LG5TQ7
- EC Number
- 203-803-6
- Nikkaji
- J36.792C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 63,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Monoisocyanates
Flammable agents - 3rd degree
Physical Description
N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.
Colorless liquid with pungent odor; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- -30 °C · -30 °C
- Siedepunkt
- 83 · 83-84 °C(lit.)
- Dichte
- 0.908 g/mL · 0.908 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.394(lit.)
- Flammpunkt
- 32 °F · 32 °F
- storage temp.
- Flammables area
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow
- Wasserlöslichkeit
- reacts vigorously
- BRN
- 1098489 · 1098489
- InChI
- InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
- InChIKey
- OQURWGJAWSLGQG-UHFFFAOYSA-N
- SMILES
- C(N=C=O)CC
- CAS Datenbank
- 110 · 110-78-1(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Propane, 1-isocyanato-(110-78-1)
- EPA chemische Informationen
- 1 · Propane, 1-isocyanato- (110-78-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Fire Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:
· 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); polymerization hazard]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Reactivity Profile
Isocyanates and thioisocyanates, such as N-PROPYL ISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide.
DOT Hazard Classification
n-Propyl isocyanate
UN2482
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); polymerization hazard]:
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); polymerization hazard]:
Immediate precautionary measure
Small spill:
Small spill:
Toxikologische Informationen
Sicherheitsdaten
- F
- 19
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2482
- hs_code
- 29291090
- RTECS-Nr.
- NR0190000
- risk_code
- 11-20/21/22-37/38-41-42/43-42-34-26-22-14
- hazard_code
- F,Xn,T+
- safety_code
- 23-26-36/37/39-45-38-16
- hazard_class
- 6.1
- packing_group
- I
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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