Propylisocyanat

Propyl isocyanate

HCID 61033CAS 110-78-1

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

Propyl isocyanate1-Isocyanatopropanen-Propyl isocyanatePROPANE, 1-ISOCYANATO-m-Propyl isocyanateEINECS 203-803-6EW62LG5TQ7NSC 89688UN2482AI3-28281NSC-89688Isocyanic acid n-propyl ester
Weitere Namen anzeigen
Isocyanatopropanen-picWLN: OCN3Desmodur RNPropyl carbimideN-PROPYLCARBIMIDEn-Propylisocyanat
DTXSID5051571OQURWGJAWSLGQG-UHFFFAOYSA-UN 24821IsocyanatopropanemPropyl isocyanate1Propyl isocyanatePropane, 1isocyanatoRefChem:176498

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory InformationThe 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); polymerization hazard]:

· 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); polymerization hazard]:

· 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; May cause burns and death; Reacts with water to slowly produce cyanide vapor; Corrosive gases and flammable hydrogen may be released; [CAMEO]

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:
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); polymerization hazard]:

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); polymerization hazard]:
Isolation and Evacuation · 4 Einträge

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

Immediate precautionary measure

Small spill:

Small spill:

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
19
wgk
1
tsca
TSCA listed
ridadr
UN 2482
hs_code
29291090
RTECS-Nr.
NR0190000

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationPropane, 1-isocyanato-: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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